  
data_08194m 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C50 H56 Cu2 N8, 2(F6 P), 3(C H2 Cl2)' 
_chemical_formula_sum 
 'C53 H62 Cl6 Cu2 F12 N8 P2' 
_chemical_formula_weight           1440.85
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cu'  'Cu'   0.3201   1.2651 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
  
_cell_length_a                    12.5466(15) 
_cell_length_b                    15.8552(19) 
_cell_length_c                    32.373(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  94.993(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      6415.4(13) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     3315 
_cell_measurement_theta_min       2.35 
_cell_measurement_theta_max       24.20 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.4 
_exptl_crystal_size_mid           0.3
_exptl_crystal_size_min           0.3 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.492
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2936 
_exptl_absorpt_coefficient_mu     1.039 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       173(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             60731 
_diffrn_reflns_av_R_equivalents   0.0711 
_diffrn_reflns_av_sigmaI/netI     0.0561 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -38 
_diffrn_reflns_limit_l_max        38 
_diffrn_reflns_theta_min          1.26 
_diffrn_reflns_theta_max          25.08 
_reflns_number_total              11374 
_reflns_number_gt                 8007 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0870P)²+22.8612P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          11374 
_refine_ls_number_parameters      760 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1108 
_refine_ls_R_factor_gt            0.0753 
_refine_ls_wR_factor_ref          0.1968 
_refine_ls_wR_factor_gt           0.1791 
_refine_ls_goodness_of_fit_ref    1.030 
_refine_ls_restrained_S_all       1.030 
_refine_ls_shift/su_max           0.412 
_refine_ls_shift/su_mean          0.003 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Cu1 Cu 0.41126(6) 0.26190(4) 0.116135(19) 0.03147(19) Uani 1 1 d . . . 
Cu2 Cu 0.25231(5) 0.10448(4) 0.117171(19) 0.03041(19) Uani 1 1 d . . . 
P1 P 0.85974(14) 0.49910(13) 0.18447(6) 0.0530(5) Uani 1 1 d . . . 
P2 P 0.57517(13) -0.03716(11) 0.08727(5) 0.0433(4) Uani 1 1 d . . . 
N1 N 0.4070(4) 0.3107(3) 0.20280(13) 0.0319(11) Uani 1 1 d . . . 
N2 N 0.4693(4) 0.1863(3) 0.19786(13) 0.0300(10) Uani 1 1 d . . . 
N3 N 0.3996(4) 0.0475(3) 0.18840(13) 0.0319(11) Uani 1 1 d . . . 
N4 N 0.2499(4) -0.0159(3) 0.18427(14) 0.0372(11) Uani 1 1 d . . . 
N5 N 0.4491(4) 0.3523(3) 0.04065(13) 0.0325(11) Uani 1 1 d . . . 
N6 N 0.4080(4) 0.2245(3) 0.02658(13) 0.0310(10) Uani 1 1 d . . . 
N7 N 0.2475(4) 0.1462(3) 0.02965(13) 0.0297(10) Uani 1 1 d . . . 
N8 N 0.0923(3) 0.1617(3) 0.05069(13) 0.0300(10) Uani 1 1 d . . . 
C1 C 0.4260(4) 0.2501(3) 0.17466(16) 0.0294(12) Uani 1 1 d . . . 
C2 C 0.4383(5) 0.2833(4) 0.24296(17) 0.0389(14) Uani 1 1 d . . . 
H2A H 0.4328 0.3142 0.2678 0.047 Uiso 1 1 calc R . . 
C3 C 0.4772(5) 0.2060(4) 0.23993(16) 0.0379(14) Uani 1 1 d . . . 
H3A H 0.5051 0.1709 0.2621 0.045 Uiso 1 1 calc R . . 
C4 C 0.4873(5) 0.1037(3) 0.18121(17) 0.0342(13) Uani 1 1 d . . . 
H4A H 0.5550 0.0803 0.1945 0.041 Uiso 1 1 calc R . . 
H4B H 0.4941 0.1081 0.1510 0.041 Uiso 1 1 calc R . . 
C5 C 0.3042(5) 0.0447(3) 0.16550(16) 0.0307(12) Uani 1 1 d . . . 
C6 C 0.4043(6) -0.0083(4) 0.22149(19) 0.0505(18) Uani 1 1 d . . . 
H6A H 0.4625 -0.0163 0.2419 0.061 Uiso 1 1 calc R . . 
C7 C 0.3099(6) -0.0488(5) 0.21880(19) 0.057(2) Uani 1 1 d . . . 
H7A H 0.2883 -0.0914 0.2369 0.068 Uiso 1 1 calc R . . 
C8 C 0.3548(5) 0.3896(3) 0.19285(16) 0.0323(13) Uani 1 1 d . . . 
C9 C 0.4164(5) 0.4631(4) 0.19479(17) 0.0398(14) Uani 1 1 d . . . 
C10 C 0.3619(6) 0.5380(4) 0.18649(19) 0.0453(16) Uani 1 1 d . . . 
H10A H 0.4008 0.5894 0.1881 0.054 Uiso 1 1 calc R . . 
C11 C 0.2530(6) 0.5405(4) 0.17594(19) 0.0454(16) Uani 1 1 d . . . 
C12 C 0.1963(5) 0.4659(4) 0.17376(19) 0.0449(16) Uani 1 1 d . . . 
H12A H 0.1215 0.4673 0.1660 0.054 Uiso 1 1 calc R . . 
C13 C 0.2451(5) 0.3889(4) 0.18248(17) 0.0379(14) Uani 1 1 d . . . 
C14 C 0.5356(5) 0.4604(4) 0.2042(2) 0.0531(17) Uani 1 1 d . . . 
H14A H 0.5650 0.5172 0.2014 0.080 Uiso 1 1 calc R . . 
H14B H 0.5668 0.4223 0.1847 0.080 Uiso 1 1 calc R . . 
H14C H 0.5528 0.4401 0.2326 0.080 Uiso 1 1 calc R . . 
C15 C 0.1972(7) 0.6243(5) 0.1678(3) 0.074(2) Uani 1 1 d . . . 
H15A H 0.1208 0.6146 0.1604 0.111 Uiso 1 1 calc R . . 
H15B H 0.2283 0.6531 0.1449 0.111 Uiso 1 1 calc R . . 
H15C H 0.2064 0.6593 0.1928 0.111 Uiso 1 1 calc R . . 
C16 C 0.1808(5) 0.3076(4) 0.1821(2) 0.0477(16) Uani 1 1 d . . . 
H16A H 0.1042 0.3209 0.1799 0.072 Uiso 1 1 calc R . . 
H16B H 0.1995 0.2764 0.2079 0.072 Uiso 1 1 calc R . . 
H16C H 0.1971 0.2730 0.1584 0.072 Uiso 1 1 calc R . . 
C17 C 0.1478(5) -0.0529(4) 0.16973(17) 0.0375(14) Uani 1 1 d . . . 
C18 C 0.1520(5) -0.1278(4) 0.14736(18) 0.0418(15) Uani 1 1 d . . . 
C19 C 0.0549(6) -0.1685(4) 0.1377(2) 0.0509(17) Uani 1 1 d . . . 
H19A H 0.0549 -0.2197 0.1225 0.061 Uiso 1 1 calc R . . 
C20 C -0.0397(6) -0.1388(5) 0.1489(2) 0.0532(18) Uani 1 1 d . . . 
C21 C -0.0396(6) -0.0630(5) 0.1697(2) 0.0549(18) Uani 1 1 d . . . 
H21A H -0.1057 -0.0409 0.1770 0.066 Uiso 1 1 calc R . . 
C22 C 0.0544(5) -0.0172(4) 0.18047(18) 0.0458(16) Uani 1 1 d . . . 
C23 C 0.2562(6) -0.1617(4) 0.1338(2) 0.0538(18) Uani 1 1 d . . . 
H23A H 0.2411 -0.2063 0.1131 0.081 Uiso 1 1 calc R . . 
H23B H 0.2993 -0.1849 0.1579 0.081 Uiso 1 1 calc R . . 
H23C H 0.2957 -0.1160 0.1216 0.081 Uiso 1 1 calc R . . 
C24 C -0.1435(7) -0.1854(6) 0.1391(3) 0.082(3) Uani 1 1 d . . . 
H24A H -0.2023 -0.1448 0.1349 0.123 Uiso 1 1 calc R . . 
H24B H -0.1562 -0.2230 0.1622 0.123 Uiso 1 1 calc R . . 
H24C H -0.1394 -0.2187 0.1138 0.123 Uiso 1 1 calc R . . 
C25 C 0.0518(6) 0.0666(5) 0.2014(2) 0.0591(19) Uani 1 1 d . . . 
H25A H 0.1132 0.0714 0.2221 0.089 Uiso 1 1 calc R . . 
H25B H -0.0146 0.0719 0.2150 0.089 Uiso 1 1 calc R . . 
H25C H 0.0551 0.1115 0.1807 0.089 Uiso 1 1 calc R . . 
C26 C 0.4204(4) 0.2801(3) 0.05843(16) 0.0306(12) Uani 1 1 d . . . 
C27 C 0.4540(5) 0.3427(4) -0.00163(17) 0.0419(15) Uani 1 1 d . . . 
H27A H 0.4724 0.3847 -0.0207 0.050 Uiso 1 1 calc R . . 
C28 C 0.4276(5) 0.2627(4) -0.01025(17) 0.0417(15) Uani 1 1 d . . . 
H28A H 0.4232 0.2368 -0.0368 0.050 Uiso 1 1 calc R . . 
C29 C 0.3627(4) 0.1407(4) 0.02979(16) 0.0318(13) Uani 1 1 d . . . 
H29A H 0.3815 0.1056 0.0062 0.038 Uiso 1 1 calc R . . 
H29B H 0.3928 0.1134 0.0557 0.038 Uiso 1 1 calc R . . 
C30 C 0.1942(4) 0.1446(3) 0.06459(16) 0.0290(12) Uani 1 1 d . . . 
C31 C 0.1788(5) 0.1641(4) -0.00486(17) 0.0385(14) Uani 1 1 d . . . 
H31A H 0.1973 0.1690 -0.0326 0.046 Uiso 1 1 calc R . . 
C32 C 0.0817(5) 0.1733(4) 0.00815(17) 0.0388(14) Uani 1 1 d . . . 
H32A H 0.0175 0.1854 -0.0085 0.047 Uiso 1 1 calc R . . 
C33 C 0.4715(5) 0.4310(4) 0.06214(16) 0.0337(13) Uani 1 1 d . . . 
C34 C 0.5767(6) 0.4500(4) 0.07599(19) 0.0482(16) Uani 1 1 d . . . 
C35 C 0.5963(6) 0.5277(4) 0.0955(2) 0.0564(19) Uani 1 1 d . . . 
H35A H 0.6675 0.5417 0.1054 0.068 Uiso 1 1 calc R . . 
C36 C 0.5171(7) 0.5839(4) 0.10063(19) 0.0529(18) Uani 1 1 d . . . 
C37 C 0.4136(7) 0.5633(4) 0.0866(2) 0.0561(19) Uani 1 1 d . . . 
H37A H 0.3578 0.6024 0.0903 0.067 Uiso 1 1 calc R . . 
C38 C 0.3883(6) 0.4857(4) 0.0671(2) 0.0494(17) Uani 1 1 d . . . 
C39 C 0.6672(6) 0.3907(5) 0.0689(3) 0.078(3) Uani 1 1 d . . . 
H39A H 0.6513 0.3347 0.0795 0.117 Uiso 1 1 calc R . . 
H39B H 0.7336 0.4120 0.0833 0.117 Uiso 1 1 calc R . . 
H39C H 0.6754 0.3870 0.0391 0.117 Uiso 1 1 calc R . . 
C40 C 0.5420(8) 0.6686(5) 0.1214(2) 0.077(3) Uani 1 1 d . . . 
H40A H 0.5762 0.6593 0.1495 0.116 Uiso 1 1 calc R . . 
H40B H 0.4755 0.7003 0.1231 0.116 Uiso 1 1 calc R . . 
H40C H 0.5905 0.7007 0.1052 0.116 Uiso 1 1 calc R . . 
C41 C 0.2736(6) 0.4644(6) 0.0521(3) 0.091(3) Uani 1 1 d . . . 
H41A H 0.2601 0.4046 0.0575 0.136 Uiso 1 1 calc R . . 
H41B H 0.2617 0.4755 0.0223 0.136 Uiso 1 1 calc R . . 
H41C H 0.2249 0.4992 0.0670 0.136 Uiso 1 1 calc R . . 
C42 C 0.0047(4) 0.1705(3) 0.07685(16) 0.0297(12) Uani 1 1 d . . . 
C43 C -0.0174(5) 0.2505(4) 0.09092(18) 0.0367(13) Uani 1 1 d . . . 
C44 C -0.1022(5) 0.2583(4) 0.1156(2) 0.0449(15) Uani 1 1 d . . . 
H44A H -0.1177 0.3121 0.1266 0.054 Uiso 1 1 calc R . . 
C45 C -0.1647(5) 0.1896(4) 0.12460(19) 0.0424(15) Uani 1 1 d . . . 
C46 C -0.1401(5) 0.1120(4) 0.10884(18) 0.0392(14) Uani 1 1 d . . . 
H46A H -0.1829 0.0648 0.1147 0.047 Uiso 1 1 calc R . . 
C47 C -0.0550(4) 0.1003(4) 0.08469(17) 0.0328(13) Uani 1 1 d . . . 
C48 C 0.0456(6) 0.3266(4) 0.0801(2) 0.0499(17) Uani 1 1 d . . . 
H48A H 0.1220 0.3161 0.0871 0.075 Uiso 1 1 calc R . . 
H48B H 0.0231 0.3754 0.0958 0.075 Uiso 1 1 calc R . . 
H48C H 0.0328 0.3381 0.0503 0.075 Uiso 1 1 calc R . . 
C49 C -0.2581(6) 0.1996(5) 0.1512(2) 0.064(2) Uani 1 1 d . . . 
H49A H -0.2552 0.2556 0.1641 0.096 Uiso 1 1 calc R . . 
H49B H -0.2537 0.1563 0.1729 0.096 Uiso 1 1 calc R . . 
H49C H -0.3256 0.1934 0.1338 0.096 Uiso 1 1 calc R . . 
C50 C -0.0300(5) 0.0153(4) 0.06854(19) 0.0405(14) Uani 1 1 d . . . 
H50A H -0.0218 0.0190 0.0388 0.061 Uiso 1 1 calc R . . 
H50B H -0.0884 -0.0237 0.0732 0.061 Uiso 1 1 calc R . . 
H50C H 0.0367 -0.0055 0.0830 0.061 Uiso 1 1 calc R . . 
C200 C 0.7093(7) 0.1341(6) -0.0009(3) 0.081(3) Uani 1 1 d . . . 
H20A H 0.6341 0.1243 -0.0119 0.097 Uiso 1 1 calc R . . 
H20B H 0.7158 0.1203 0.0290 0.097 Uiso 1 1 calc R . . 
C201 C 0.6153(12) -0.1967(11) 0.2265(8) 0.268(14) Uani 1 1 d . . . 
H20C H 0.6310 -0.1544 0.2487 0.321 Uiso 1 1 calc R . . 
H20D H 0.6171 -0.1684 0.1993 0.321 Uiso 1 1 calc R . . 
C202 C 1.0452(13) 0.4329(13) -0.0566(8) 0.35(2) Uani 1 1 d . . . 
H20E H 1.0355 0.4608 -0.0841 0.415 Uiso 1 1 calc R . . 
H20F H 1.0443 0.4765 -0.0348 0.415 Uiso 1 1 calc R . . 
Cl3 Cl 0.9341(3) 0.3510(2) -0.05110(10) 0.1319(12) Uani 1 1 d . . . 
Cl4 Cl 0.4909(3) -0.2423(2) 0.23073(10) 0.1296(12) Uani 1 1 d . . . 
Cl5 Cl 1.1658(4) 0.3763(3) -0.05146(15) 0.195(2) Uani 1 1 d . . . 
Cl6 Cl 0.7093(5) -0.2790(5) 0.23132(14) 0.270(4) Uani 1 1 d . . . 
F1 F 0.8455(5) 0.5151(4) 0.23222(15) 0.112(2) Uani 1 1 d . . . 
F2 F 0.9521(4) 0.5680(3) 0.18762(17) 0.0904(16) Uani 1 1 d . . . 
F3 F 0.7706(4) 0.4290(4) 0.18100(19) 0.0991(17) Uani 1 1 d . . . 
F4 F 0.7740(4) 0.5683(3) 0.17256(17) 0.0971(17) Uani 1 1 d . . . 
F5 F 0.8793(4) 0.4831(3) 0.13757(13) 0.0816(14) Uani 1 1 d . . . 
F6 F 0.6851(3) -0.0458(3) 0.06781(15) 0.0849(15) Uani 1 1 d . . . 
F7 F 0.5702(7) -0.1342(3) 0.0926(2) 0.141(3) Uani 1 1 d . . . 
F8 F 0.4631(4) -0.0217(4) 0.10502(19) 0.112(2) Uani 1 1 d . . . 
F9 F 0.5134(4) -0.0465(4) 0.04276(15) 0.1003(19) Uani 1 1 d . . . 
F10 F 0.5795(4) 0.0623(3) 0.08298(16) 0.0841(14) Uani 1 1 d . . . 
F11 F 0.6381(4) -0.0260(3) 0.13210(14) 0.0908(16) Uani 1 1 d . . . 
F12 F 0.9471(3) 0.4281(3) 0.19728(13) 0.0684(12) Uani 1 1 d . . . 
Cl1 Cl 0.7930(2) 0.06896(14) -0.02649(7) 0.0840(7) Uani 1 1 d . . . 
Cl2 Cl 0.7410(4) 0.2370(2) -0.00744(15) 0.1635(17) Uani 1 1 d . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Cu1 C1 1.897(5) . ? 
Cu1 C26 1.904(5) . ? 
Cu2 C5 1.895(5) . ? 
Cu2 C30 1.902(5) . ? 
P1 F4 1.561(5) . ? 
P1 F3 1.575(5) . ? 
P1 F5 1.579(5) . ? 
P1 F2 1.589(5) . ? 
P1 F1 1.592(5) . ? 
P1 F12 1.601(4) . ? 
P2 F7 1.550(6) . ? 
P2 F6 1.571(4) . ? 
P2 F9 1.583(5) . ? 
P2 F8 1.583(5) . ? 
P2 F10 1.584(5) . ? 
P2 F11 1.600(5) . ? 
N1 C1 1.359(7) . ? 
N1 C2 1.395(7) . ? 
N1 C8 1.436(7) . ? 
N2 C1 1.345(7) . ? 
N2 C3 1.392(7) . ? 
N2 C4 1.442(7) . ? 
N3 C5 1.353(7) . ? 
N3 C6 1.387(7) . ? 
N3 C4 1.450(7) . ? 
N4 C5 1.352(7) . ? 
N4 C7 1.393(7) . ? 
N4 C17 1.450(7) . ? 
N5 C26 1.344(7) . ? 
N5 C27 1.384(7) . ? 
N5 C33 1.445(7) . ? 
N6 C26 1.355(7) . ? 
N6 C28 1.378(7) . ? 
N6 C29 1.453(7) . ? 
N7 C30 1.363(7) . ? 
N7 C31 1.380(7) . ? 
N7 C29 1.448(7) . ? 
N8 C30 1.346(7) . ? 
N8 C32 1.384(7) . ? 
N8 C42 1.451(7) . ? 
C2 C3 1.326(8) . ? 
C2 H2A 0.9500 . ? 
C3 H3A 0.9500 . ? 
C4 H4A 0.9900 . ? 
C4 H4B 0.9900 . ? 
C6 C7 1.343(9) . ? 
C6 H6A 0.9500 . ? 
C7 H7A 0.9500 . ? 
C8 C13 1.388(8) . ? 
C8 C9 1.396(8) . ? 
C9 C10 1.386(9) . ? 
C9 C14 1.500(9) . ? 
C10 C11 1.380(9) . ? 
C10 H10A 0.9500 . ? 
C11 C12 1.380(9) . ? 
C11 C15 1.514(9) . ? 
C12 C13 1.383(8) . ? 
C12 H12A 0.9500 . ? 
C13 C16 1.521(9) . ? 
C14 H14A 0.9800 . ? 
C14 H14B 0.9800 . ? 
C14 H14C 0.9800 . ? 
C15 H15A 0.9800 . ? 
C15 H15B 0.9800 . ? 
C15 H15C 0.9800 . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C17 C22 1.372(9) . ? 
C17 C18 1.394(9) . ? 
C18 C19 1.390(9) . ? 
C18 C23 1.514(9) . ? 
C19 C20 1.356(10) . ? 
C19 H19A 0.9500 . ? 
C20 C21 1.378(10) . ? 
C20 C24 1.507(10) . ? 
C21 C22 1.403(9) . ? 
C21 H21A 0.9500 . ? 
C22 C25 1.492(10) . ? 
C23 H23A 0.9800 . ? 
C23 H23B 0.9800 . ? 
C23 H23C 0.9800 . ? 
C24 H24A 0.9800 . ? 
C24 H24B 0.9800 . ? 
C24 H24C 0.9800 . ? 
C25 H25A 0.9800 . ? 
C25 H25B 0.9800 . ? 
C25 H25C 0.9800 . ? 
C27 C28 1.335(9) . ? 
C27 H27A 0.9500 . ? 
C28 H28A 0.9500 . ? 
C29 H29A 0.9900 . ? 
C29 H29B 0.9900 . ? 
C31 C32 1.332(8) . ? 
C31 H31A 0.9500 . ? 
C32 H32A 0.9500 . ? 
C33 C38 1.377(9) . ? 
C33 C34 1.390(9) . ? 
C34 C35 1.396(9) . ? 
C34 C39 1.507(10) . ? 
C35 C36 1.356(10) . ? 
C35 H35A 0.9500 . ? 
C36 C37 1.378(10) . ? 
C36 C40 1.522(10) . ? 
C37 C38 1.406(10) . ? 
C37 H37A 0.9500 . ? 
C38 C41 1.516(11) . ? 
C39 H39A 0.9800 . ? 
C39 H39B 0.9800 . ? 
C39 H39C 0.9800 . ? 
C40 H40A 0.9800 . ? 
C40 H40B 0.9800 . ? 
C40 H40C 0.9800 . ? 
C41 H41A 0.9800 . ? 
C41 H41B 0.9800 . ? 
C41 H41C 0.9800 . ? 
C42 C47 1.378(8) . ? 
C42 C43 1.383(8) . ? 
C43 C44 1.391(8) . ? 
C43 C48 1.501(8) . ? 
C44 C45 1.388(9) . ? 
C44 H44A 0.9500 . ? 
C45 C46 1.377(8) . ? 
C45 C49 1.522(8) . ? 
C46 C47 1.390(8) . ? 
C46 H46A 0.9500 . ? 
C47 C50 1.490(8) . ? 
C48 H48A 0.9800 . ? 
C48 H48B 0.9800 . ? 
C48 H48C 0.9800 . ? 
C49 H49A 0.9800 . ? 
C49 H49B 0.9800 . ? 
C49 H49C 0.9800 . ? 
C50 H50A 0.9800 . ? 
C50 H50B 0.9800 . ? 
C50 H50C 0.9800 . ? 
C200 Cl2 1.697(10) . ? 
C200 Cl1 1.733(9) . ? 
C200 H20A 0.9900 . ? 
C200 H20B 0.9900 . ? 
C201 Cl4 1.736(17) . ? 
C201 Cl6 1.756(17) . ? 
C201 H20C 0.9900 . ? 
C201 H20D 0.9900 . ? 
C202 Cl5 1.755(15) . ? 
C202 Cl3 1.924(19) . ? 
C202 H20E 0.9900 . ? 
C202 H20F 0.9900 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C1 Cu1 C26 170.5(2) . . ? 
C5 Cu2 C30 169.5(2) . . ? 
F4 P1 F3 90.5(3) . . ? 
F4 P1 F5 92.1(3) . . ? 
F3 P1 F5 89.3(3) . . ? 
F4 P1 F2 90.9(3) . . ? 
F3 P1 F2 178.4(3) . . ? 
F5 P1 F2 89.9(3) . . ? 
F4 P1 F1 89.7(3) . . ? 
F3 P1 F1 92.5(4) . . ? 
F5 P1 F1 177.5(3) . . ? 
F2 P1 F1 88.3(3) . . ? 
F4 P1 F12 179.2(3) . . ? 
F3 P1 F12 89.3(3) . . ? 
F5 P1 F12 88.6(3) . . ? 
F2 P1 F12 89.3(3) . . ? 
F1 P1 F12 89.6(3) . . ? 
F7 P2 F6 90.2(4) . . ? 
F7 P2 F9 89.3(4) . . ? 
F6 P2 F9 90.2(3) . . ? 
F7 P2 F8 93.9(4) . . ? 
F6 P2 F8 175.5(4) . . ? 
F9 P2 F8 88.0(3) . . ? 
F7 P2 F10 178.6(3) . . ? 
F6 P2 F10 90.8(3) . . ? 
F9 P2 F10 91.8(3) . . ? 
F8 P2 F10 85.1(3) . . ? 
F7 P2 F11 91.7(4) . . ? 
F6 P2 F11 89.5(3) . . ? 
F9 P2 F11 179.0(3) . . ? 
F8 P2 F11 92.2(3) . . ? 
F10 P2 F11 87.2(3) . . ? 
C1 N1 C2 110.7(5) . . ? 
C1 N1 C8 124.7(4) . . ? 
C2 N1 C8 124.5(4) . . ? 
C1 N2 C3 111.7(4) . . ? 
C1 N2 C4 122.9(4) . . ? 
C3 N2 C4 124.6(5) . . ? 
C5 N3 C6 112.2(5) . . ? 
C5 N3 C4 125.4(4) . . ? 
C6 N3 C4 122.3(5) . . ? 
C5 N4 C7 111.6(5) . . ? 
C5 N4 C17 127.4(5) . . ? 
C7 N4 C17 120.6(5) . . ? 
C26 N5 C27 111.5(5) . . ? 
C26 N5 C33 125.3(4) . . ? 
C27 N5 C33 123.2(5) . . ? 
C26 N6 C28 110.8(5) . . ? 
C26 N6 C29 124.1(4) . . ? 
C28 N6 C29 124.3(5) . . ? 
C30 N7 C31 111.0(5) . . ? 
C30 N7 C29 123.9(4) . . ? 
C31 N7 C29 124.6(5) . . ? 
C30 N8 C32 111.4(4) . . ? 
C30 N8 C42 124.8(4) . . ? 
C32 N8 C42 123.8(4) . . ? 
N2 C1 N1 104.0(4) . . ? 
N2 C1 Cu1 129.1(4) . . ? 
N1 C1 Cu1 126.3(4) . . ? 
C3 C2 N1 107.2(5) . . ? 
C3 C2 H2A 126.4 . . ? 
N1 C2 H2A 126.4 . . ? 
C2 C3 N2 106.5(5) . . ? 
C2 C3 H3A 126.8 . . ? 
N2 C3 H3A 126.8 . . ? 
N2 C4 N3 110.6(4) . . ? 
N2 C4 H4A 109.5 . . ? 
N3 C4 H4A 109.5 . . ? 
N2 C4 H4B 109.5 . . ? 
N3 C4 H4B 109.5 . . ? 
H4A C4 H4B 108.1 . . ? 
N3 C5 N4 103.5(4) . . ? 
N3 C5 Cu2 131.3(4) . . ? 
N4 C5 Cu2 125.2(4) . . ? 
C7 C6 N3 106.1(5) . . ? 
C7 C6 H6A 127.0 . . ? 
N3 C6 H6A 127.0 . . ? 
C6 C7 N4 106.6(5) . . ? 
C6 C7 H7A 126.7 . . ? 
N4 C7 H7A 126.7 . . ? 
C13 C8 C9 123.5(5) . . ? 
C13 C8 N1 118.1(5) . . ? 
C9 C8 N1 118.5(5) . . ? 
C10 C9 C8 116.4(6) . . ? 
C10 C9 C14 122.0(6) . . ? 
C8 C9 C14 121.6(6) . . ? 
C11 C10 C9 122.3(6) . . ? 
C11 C10 H10A 118.8 . . ? 
C9 C10 H10A 118.8 . . ? 
C10 C11 C12 118.8(6) . . ? 
C10 C11 C15 120.1(6) . . ? 
C12 C11 C15 121.0(7) . . ? 
C11 C12 C13 121.9(6) . . ? 
C11 C12 H12A 119.0 . . ? 
C13 C12 H12A 119.0 . . ? 
C12 C13 C8 117.0(6) . . ? 
C12 C13 C16 121.4(6) . . ? 
C8 C13 C16 121.5(5) . . ? 
C9 C14 H14A 109.5 . . ? 
C9 C14 H14B 109.5 . . ? 
H14A C14 H14B 109.5 . . ? 
C9 C14 H14C 109.5 . . ? 
H14A C14 H14C 109.5 . . ? 
H14B C14 H14C 109.5 . . ? 
C11 C15 H15A 109.5 . . ? 
C11 C15 H15B 109.5 . . ? 
H15A C15 H15B 109.5 . . ? 
C11 C15 H15C 109.5 . . ? 
H15A C15 H15C 109.5 . . ? 
H15B C15 H15C 109.5 . . ? 
C13 C16 H16A 109.5 . . ? 
C13 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
C13 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
C22 C17 C18 123.7(6) . . ? 
C22 C17 N4 120.1(6) . . ? 
C18 C17 N4 116.1(6) . . ? 
C19 C18 C17 116.1(6) . . ? 
C19 C18 C23 122.1(6) . . ? 
C17 C18 C23 121.8(6) . . ? 
C20 C19 C18 123.3(7) . . ? 
C20 C19 H19A 118.3 . . ? 
C18 C19 H19A 118.3 . . ? 
C19 C20 C21 118.1(6) . . ? 
C19 C20 C24 122.3(7) . . ? 
C21 C20 C24 119.7(7) . . ? 
C20 C21 C22 122.5(7) . . ? 
C20 C21 H21A 118.7 . . ? 
C22 C21 H21A 118.7 . . ? 
C17 C22 C21 116.2(6) . . ? 
C17 C22 C25 122.3(6) . . ? 
C21 C22 C25 121.4(7) . . ? 
C18 C23 H23A 109.5 . . ? 
C18 C23 H23B 109.5 . . ? 
H23A C23 H23B 109.5 . . ? 
C18 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C20 C24 H24A 109.5 . . ? 
C20 C24 H24B 109.5 . . ? 
H24A C24 H24B 109.5 . . ? 
C20 C24 H24C 109.5 . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 
C22 C25 H25A 109.5 . . ? 
C22 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
C22 C25 H25C 109.5 . . ? 
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ? 
N5 C26 N6 104.2(4) . . ? 
N5 C26 Cu1 126.2(4) . . ? 
N6 C26 Cu1 129.5(4) . . ? 
C28 C27 N5 106.2(5) . . ? 
C28 C27 H27A 126.9 . . ? 
N5 C27 H27A 126.9 . . ? 
C27 C28 N6 107.2(5) . . ? 
C27 C28 H28A 126.4 . . ? 
N6 C28 H28A 126.4 . . ? 
N7 C29 N6 109.9(4) . . ? 
N7 C29 H29A 109.7 . . ? 
N6 C29 H29A 109.7 . . ? 
N7 C29 H29B 109.7 . . ? 
N6 C29 H29B 109.7 . . ? 
H29A C29 H29B 108.2 . . ? 
N8 C30 N7 103.8(4) . . ? 
N8 C30 Cu2 130.2(4) . . ? 
N7 C30 Cu2 124.8(4) . . ? 
C32 C31 N7 106.9(5) . . ? 
C32 C31 H31A 126.6 . . ? 
N7 C31 H31A 126.6 . . ? 
C31 C32 N8 106.8(5) . . ? 
C31 C32 H32A 126.6 . . ? 
N8 C32 H32A 126.6 . . ? 
C38 C33 C34 122.3(6) . . ? 
C38 C33 N5 118.9(5) . . ? 
C34 C33 N5 118.8(5) . . ? 
C33 C34 C35 117.5(6) . . ? 
C33 C34 C39 121.5(6) . . ? 
C35 C34 C39 121.0(7) . . ? 
C36 C35 C34 122.3(7) . . ? 
C36 C35 H35A 118.9 . . ? 
C34 C35 H35A 118.9 . . ? 
C35 C36 C37 118.9(6) . . ? 
C35 C36 C40 120.7(8) . . ? 
C37 C36 C40 120.4(7) . . ? 
C36 C37 C38 121.6(7) . . ? 
C36 C37 H37A 119.2 . . ? 
C38 C37 H37A 119.2 . . ? 
C33 C38 C37 117.4(7) . . ? 
C33 C38 C41 122.0(7) . . ? 
C37 C38 C41 120.6(7) . . ? 
C34 C39 H39A 109.5 . . ? 
C34 C39 H39B 109.5 . . ? 
H39A C39 H39B 109.5 . . ? 
C34 C39 H39C 109.5 . . ? 
H39A C39 H39C 109.5 . . ? 
H39B C39 H39C 109.5 . . ? 
C36 C40 H40A 109.5 . . ? 
C36 C40 H40B 109.5 . . ? 
H40A C40 H40B 109.5 . . ? 
C36 C40 H40C 109.5 . . ? 
H40A C40 H40C 109.5 . . ? 
H40B C40 H40C 109.5 . . ? 
C38 C41 H41A 109.5 . . ? 
C38 C41 H41B 109.5 . . ? 
H41A C41 H41B 109.5 . . ? 
C38 C41 H41C 109.5 . . ? 
H41A C41 H41C 109.5 . . ? 
H41B C41 H41C 109.5 . . ? 
C47 C42 C43 123.5(5) . . ? 
C47 C42 N8 118.7(5) . . ? 
C43 C42 N8 117.7(5) . . ? 
C42 C43 C44 117.2(5) . . ? 
C42 C43 C48 122.4(5) . . ? 
C44 C43 C48 120.4(6) . . ? 
C45 C44 C43 121.6(6) . . ? 
C45 C44 H44A 119.2 . . ? 
C43 C44 H44A 119.2 . . ? 
C46 C45 C44 118.4(6) . . ? 
C46 C45 C49 120.8(6) . . ? 
C44 C45 C49 120.9(6) . . ? 
C45 C46 C47 122.4(6) . . ? 
C45 C46 H46A 118.8 . . ? 
C47 C46 H46A 118.8 . . ? 
C42 C47 C46 116.9(5) . . ? 
C42 C47 C50 122.2(5) . . ? 
C46 C47 C50 120.9(5) . . ? 
C43 C48 H48A 109.5 . . ? 
C43 C48 H48B 109.5 . . ? 
H48A C48 H48B 109.5 . . ? 
C43 C48 H48C 109.5 . . ? 
H48A C48 H48C 109.5 . . ? 
H48B C48 H48C 109.5 . . ? 
C45 C49 H49A 109.5 . . ? 
C45 C49 H49B 109.5 . . ? 
H49A C49 H49B 109.5 . . ? 
C45 C49 H49C 109.5 . . ? 
H49A C49 H49C 109.5 . . ? 
H49B C49 H49C 109.5 . . ? 
C47 C50 H50A 109.5 . . ? 
C47 C50 H50B 109.5 . . ? 
H50A C50 H50B 109.5 . . ? 
C47 C50 H50C 109.5 . . ? 
H50A C50 H50C 109.5 . . ? 
H50B C50 H50C 109.5 . . ? 
Cl2 C200 Cl1 110.8(5) . . ? 
Cl2 C200 H20A 109.5 . . ? 
Cl1 C200 H20A 109.5 . . ? 
Cl2 C200 H20B 109.5 . . ? 
Cl1 C200 H20B 109.5 . . ? 
H20A C200 H20B 108.1 . . ? 
Cl4 C201 Cl6 106.6(11) . . ? 
Cl4 C201 H20C 110.4 . . ? 
Cl6 C201 H20C 110.4 . . ? 
Cl4 C201 H20D 110.4 . . ? 
Cl6 C201 H20D 110.4 . . ? 
H20C C201 H20D 108.6 . . ? 
Cl5 C202 Cl3 105.7(9) . . ? 
Cl5 C202 H20E 110.6 . . ? 
Cl3 C202 H20E 110.6 . . ? 
Cl5 C202 H20F 110.6 . . ? 
Cl3 C202 H20F 110.6 . . ? 
H20E C202 H20F 108.7 . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C3 N2 C1 N1 0.2(6) . . . . ? 
C4 N2 C1 N1 170.4(5) . . . . ? 
C3 N2 C1 Cu1 172.4(4) . . . . ? 
C4 N2 C1 Cu1 -17.4(8) . . . . ? 
C2 N1 C1 N2 -0.3(6) . . . . ? 
C8 N1 C1 N2 -176.1(5) . . . . ? 
C2 N1 C1 Cu1 -172.8(4) . . . . ? 
C8 N1 C1 Cu1 11.3(8) . . . . ? 
C26 Cu1 C1 N2 -82.5(15) . . . . ? 
C26 Cu1 C1 N1 88.2(15) . . . . ? 
C1 N1 C2 C3 0.3(7) . . . . ? 
C8 N1 C2 C3 176.1(5) . . . . ? 
N1 C2 C3 N2 -0.1(7) . . . . ? 
C1 N2 C3 C2 0.0(7) . . . . ? 
C4 N2 C3 C2 -170.0(5) . . . . ? 
C1 N2 C4 N3 -96.2(6) . . . . ? 
C3 N2 C4 N3 72.7(7) . . . . ? 
C5 N3 C4 N2 80.2(6) . . . . ? 
C6 N3 C4 N2 -97.3(6) . . . . ? 
C6 N3 C5 N4 -1.6(6) . . . . ? 
C4 N3 C5 N4 -179.4(5) . . . . ? 
C6 N3 C5 Cu2 -179.3(5) . . . . ? 
C4 N3 C5 Cu2 2.9(8) . . . . ? 
C7 N4 C5 N3 1.3(7) . . . . ? 
C17 N4 C5 N3 -171.6(5) . . . . ? 
C7 N4 C5 Cu2 179.2(5) . . . . ? 
C17 N4 C5 Cu2 6.3(8) . . . . ? 
C30 Cu2 C5 N3 127.1(12) . . . . ? 
C30 Cu2 C5 N4 -50.1(15) . . . . ? 
C5 N3 C6 C7 1.3(8) . . . . ? 
C4 N3 C6 C7 179.2(6) . . . . ? 
N3 C6 C7 N4 -0.5(8) . . . . ? 
C5 N4 C7 C6 -0.6(8) . . . . ? 
C17 N4 C7 C6 172.9(6) . . . . ? 
C1 N1 C8 C13 73.4(7) . . . . ? 
C2 N1 C8 C13 -101.9(6) . . . . ? 
C1 N1 C8 C9 -107.7(6) . . . . ? 
C2 N1 C8 C9 77.0(7) . . . . ? 
C13 C8 C9 C10 1.3(8) . . . . ? 
N1 C8 C9 C10 -177.6(5) . . . . ? 
C13 C8 C9 C14 -177.0(5) . . . . ? 
N1 C8 C9 C14 4.1(8) . . . . ? 
C8 C9 C10 C11 -1.4(8) . . . . ? 
C14 C9 C10 C11 176.9(6) . . . . ? 
C9 C10 C11 C12 0.3(9) . . . . ? 
C9 C10 C11 C15 179.2(6) . . . . ? 
C10 C11 C12 C13 1.1(9) . . . . ? 
C15 C11 C12 C13 -177.8(6) . . . . ? 
C11 C12 C13 C8 -1.2(9) . . . . ? 
C11 C12 C13 C16 176.8(6) . . . . ? 
C9 C8 C13 C12 0.0(8) . . . . ? 
N1 C8 C13 C12 178.8(5) . . . . ? 
C9 C8 C13 C16 -178.0(5) . . . . ? 
N1 C8 C13 C16 0.9(8) . . . . ? 
C5 N4 C17 C22 -89.2(7) . . . . ? 
C7 N4 C17 C22 98.4(7) . . . . ? 
C5 N4 C17 C18 94.9(7) . . . . ? 
C7 N4 C17 C18 -77.4(7) . . . . ? 
C22 C17 C18 C19 -3.0(8) . . . . ? 
N4 C17 C18 C19 172.6(5) . . . . ? 
C22 C17 C18 C23 175.9(6) . . . . ? 
N4 C17 C18 C23 -8.4(8) . . . . ? 
C17 C18 C19 C20 0.0(9) . . . . ? 
C23 C18 C19 C20 -178.9(6) . . . . ? 
C18 C19 C20 C21 2.2(10) . . . . ? 
C18 C19 C20 C24 -178.1(6) . . . . ? 
C19 C20 C21 C22 -1.6(10) . . . . ? 
C24 C20 C21 C22 178.7(6) . . . . ? 
C18 C17 C22 C21 3.5(9) . . . . ? 
N4 C17 C22 C21 -172.0(5) . . . . ? 
C18 C17 C22 C25 -174.8(6) . . . . ? 
N4 C17 C22 C25 9.7(9) . . . . ? 
C20 C21 C22 C17 -1.1(9) . . . . ? 
C20 C21 C22 C25 177.2(6) . . . . ? 
C27 N5 C26 N6 0.4(6) . . . . ? 
C33 N5 C26 N6 179.9(5) . . . . ? 
C27 N5 C26 Cu1 176.2(4) . . . . ? 
C33 N5 C26 Cu1 -4.3(8) . . . . ? 
C28 N6 C26 N5 -0.7(6) . . . . ? 
C29 N6 C26 N5 -171.1(5) . . . . ? 
C28 N6 C26 Cu1 -176.4(4) . . . . ? 
C29 N6 C26 Cu1 13.3(8) . . . . ? 
C1 Cu1 C26 N5 -54.7(16) . . . . ? 
C1 Cu1 C26 N6 120.1(13) . . . . ? 
C26 N5 C27 C28 0.1(7) . . . . ? 
C33 N5 C27 C28 -179.4(5) . . . . ? 
N5 C27 C28 N6 -0.5(7) . . . . ? 
C26 N6 C28 C27 0.8(7) . . . . ? 
C29 N6 C28 C27 171.1(5) . . . . ? 
C30 N7 C29 N6 -98.1(6) . . . . ? 
C31 N7 C29 N6 73.6(6) . . . . ? 
C26 N6 C29 N7 76.7(6) . . . . ? 
C28 N6 C29 N7 -92.4(6) . . . . ? 
C32 N8 C30 N7 0.3(6) . . . . ? 
C42 N8 C30 N7 -177.3(5) . . . . ? 
C32 N8 C30 Cu2 -167.8(4) . . . . ? 
C42 N8 C30 Cu2 14.6(8) . . . . ? 
C31 N7 C30 N8 0.1(6) . . . . ? 
C29 N7 C30 N8 172.7(5) . . . . ? 
C31 N7 C30 Cu2 169.0(4) . . . . ? 
C29 N7 C30 Cu2 -18.3(7) . . . . ? 
C5 Cu2 C30 N8 85.8(14) . . . . ? 
C5 Cu2 C30 N7 -80.1(14) . . . . ? 
C30 N7 C31 C32 -0.4(7) . . . . ? 
C29 N7 C31 C32 -173.0(5) . . . . ? 
N7 C31 C32 N8 0.6(7) . . . . ? 
C30 N8 C32 C31 -0.6(7) . . . . ? 
C42 N8 C32 C31 177.0(5) . . . . ? 
C26 N5 C33 C38 -87.9(7) . . . . ? 
C27 N5 C33 C38 91.5(7) . . . . ? 
C26 N5 C33 C34 94.0(7) . . . . ? 
C27 N5 C33 C34 -86.6(7) . . . . ? 
C38 C33 C34 C35 0.0(9) . . . . ? 
N5 C33 C34 C35 178.0(5) . . . . ? 
C38 C33 C34 C39 -177.7(7) . . . . ? 
N5 C33 C34 C39 0.3(9) . . . . ? 
C33 C34 C35 C36 -0.7(10) . . . . ? 
C39 C34 C35 C36 177.0(7) . . . . ? 
C34 C35 C36 C37 0.8(10) . . . . ? 
C34 C35 C36 C40 -179.0(6) . . . . ? 
C35 C36 C37 C38 -0.2(10) . . . . ? 
C40 C36 C37 C38 179.7(6) . . . . ? 
C34 C33 C38 C37 0.6(9) . . . . ? 
N5 C33 C38 C37 -177.4(5) . . . . ? 
C34 C33 C38 C41 -179.6(7) . . . . ? 
N5 C33 C38 C41 2.4(9) . . . . ? 
C36 C37 C38 C33 -0.5(9) . . . . ? 
C36 C37 C38 C41 179.7(7) . . . . ? 
C30 N8 C42 C47 -91.4(6) . . . . ? 
C32 N8 C42 C47 91.3(7) . . . . ? 
C30 N8 C42 C43 91.7(6) . . . . ? 
C32 N8 C42 C43 -85.6(7) . . . . ? 
C47 C42 C43 C44 2.7(9) . . . . ? 
N8 C42 C43 C44 179.4(5) . . . . ? 
C47 C42 C43 C48 -176.8(5) . . . . ? 
N8 C42 C43 C48 -0.1(8) . . . . ? 
C42 C43 C44 C45 -2.3(9) . . . . ? 
C48 C43 C44 C45 177.1(6) . . . . ? 
C43 C44 C45 C46 0.9(9) . . . . ? 
C43 C44 C45 C49 -179.2(6) . . . . ? 
C44 C45 C46 C47 0.4(9) . . . . ? 
C49 C45 C46 C47 -179.5(6) . . . . ? 
C43 C42 C47 C46 -1.4(8) . . . . ? 
N8 C42 C47 C46 -178.1(5) . . . . ? 
C43 C42 C47 C50 179.1(5) . . . . ? 
N8 C42 C47 C50 2.4(8) . . . . ? 
C45 C46 C47 C42 -0.2(9) . . . . ? 
C45 C46 C47 C50 179.3(6) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              25.08 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    1.053 
_refine_diff_density_min   -1.069 
_refine_diff_density_rms    0.094 
















