#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:35:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180146 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/43/7104378.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7104378
loop_
_publ_author_name
'Miao, Qing'
'Shin, Ji-Young'
'Patrick, Brian O'
'Dolphin, David'
_publ_section_title
;
 Self-assembly of oligomeric linear dipyrromethene metal complexes.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2541
_journal_page_last               2543
_journal_paper_doi               10.1039/b820461f
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C58 H52 B2 Cl4 Cu F4 N8'
_chemical_formula_weight         1164.04
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.191(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.142(2)
_cell_length_b                   20.146(3)
_cell_length_c                   15.483(3)
_cell_measurement_reflns_used    3213
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.80
_cell_measurement_theta_min      2.31
_cell_volume                     5658.8(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1295
_diffrn_reflns_av_sigmaI/netI    0.1349
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31031
_diffrn_reflns_theta_full        22.53
_diffrn_reflns_theta_max         22.53
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.634
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.293
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             2396
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.101
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     702
_refine_ls_number_reflns         7184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1347
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0978P)²+2.2872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1740
_refine_ls_wR_factor_ref         0.2093
_reflns_number_gt                4123
_reflns_number_total             7184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b820461f.txt
_cod_data_source_block           compound11
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7104378
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C -0.1402(4) 0.0192(4) 0.9071(5) 0.047(2) Uani 1 1 d . . .
H1A H -0.1488 0.0594 0.9411 0.070 Uiso 1 1 calc R . .
H1B H -0.1300 -0.0181 0.9460 0.070 Uiso 1 1 calc R . .
H1C H -0.1840 0.0092 0.8723 0.070 Uiso 1 1 calc R . .
C2 C -0.0750(4) 0.0299(3) 0.8482(5) 0.0350(19) Uani 1 1 d . . .
C3 C 0.0004(4) 0.0221(4) 0.8674(5) 0.039(2) Uani 1 1 d . . .
H3 H 0.0204 0.0075 0.9209 0.047 Uiso 1 1 calc R . .
C4 C 0.0400(4) 0.0394(3) 0.7957(5) 0.0357(19) Uani 1 1 d . . .
H4 H 0.0922 0.0391 0.7903 0.043 Uiso 1 1 calc R . .
C5 C -0.0114(4) 0.0577(3) 0.7311(4) 0.0293(18) Uani 1 1 d . . .
C6 C -0.0005(3) 0.0815(3) 0.6468(4) 0.0266(17) Uani 1 1 d . . .
C7 C -0.0611(3) 0.0951(3) 0.5922(4) 0.0280(17) Uani 1 1 d . . .
C8 C -0.0657(4) 0.1225(4) 0.5090(5) 0.0372(19) Uani 1 1 d . . .
H8 H -0.0255 0.1382 0.4754 0.045 Uiso 1 1 calc R . .
C9 C -0.1395(4) 0.1227(4) 0.4844(5) 0.043(2) Uani 1 1 d . . .
H9 H -0.1589 0.1375 0.4306 0.051 Uiso 1 1 calc R . .
C10 C -0.1797(4) 0.0972(4) 0.5531(5) 0.039(2) Uani 1 1 d . . .
C11 C -0.2618(3) 0.0873(4) 0.5590(5) 0.051(2) Uani 1 1 d . . .
H11A H -0.2721 0.0433 0.5833 0.076 Uiso 1 1 calc R . .
H11B H -0.2836 0.0905 0.5011 0.076 Uiso 1 1 calc R . .
H11C H -0.2831 0.1215 0.5962 0.076 Uiso 1 1 calc R . .
C12 C 0.0764(3) 0.0931(3) 0.6122(4) 0.0256(17) Uani 1 1 d . . .
C13 C 0.0989(3) 0.0661(3) 0.5341(5) 0.0307(18) Uani 1 1 d . . .
H13 H 0.0661 0.0382 0.5027 0.037 Uiso 1 1 calc R . .
C14 C 0.1684(3) 0.0789(3) 0.5013(5) 0.0305(18) Uani 1 1 d . . .
H14 H 0.1821 0.0603 0.4473 0.037 Uiso 1 1 calc R . .
C15 C 0.2187(3) 0.1186(3) 0.5459(4) 0.0213(16) Uani 1 1 d . . .
C16 C 0.1964(4) 0.1448(3) 0.6249(5) 0.0339(19) Uani 1 1 d . . .
H16 H 0.2298 0.1716 0.6569 0.041 Uiso 1 1 calc R . .
C17 C 0.1264(3) 0.1327(3) 0.6584(5) 0.0327(19) Uani 1 1 d . . .
H17 H 0.1127 0.1512 0.7124 0.039 Uiso 1 1 calc R . .
C18 C 0.3902(4) 0.2668(4) 0.2659(5) 0.051(2) Uani 1 1 d . . .
H18A H 0.4408 0.2595 0.2863 0.077 Uiso 1 1 calc R . .
H18B H 0.3814 0.3145 0.2593 0.077 Uiso 1 1 calc R . .
H18C H 0.3833 0.2447 0.2101 0.077 Uiso 1 1 calc R . .
C19 C 0.3372(4) 0.2389(4) 0.3299(5) 0.0351(19) Uani 1 1 d . . .
C20 C 0.2613(4) 0.2551(4) 0.3400(4) 0.0349(19) Uani 1 1 d . . .
H20 H 0.2347 0.2870 0.3072 0.042 Uiso 1 1 calc R . .
C21 C 0.2330(4) 0.2163(3) 0.4055(4) 0.0308(18) Uani 1 1 d . . .
H21 H 0.1836 0.2157 0.4256 0.037 Uiso 1 1 calc R . .
C22 C 0.2934(3) 0.1773(3) 0.4372(4) 0.0254(17) Uani 1 1 d . . .
C23 C 0.2924(3) 0.1333(3) 0.5082(4) 0.0219(16) Uani 1 1 d . . .
C24 C 0.3536(3) 0.1032(3) 0.5478(4) 0.0251(17) Uani 1 1 d . . .
C25 C 0.3532(4) 0.0603(4) 0.6211(5) 0.0360(19) Uani 1 1 d . . .
H25 H 0.3111 0.0466 0.6529 0.043 Uiso 1 1 calc R . .
C26 C 0.4255(4) 0.0422(4) 0.6369(5) 0.040(2) Uani 1 1 d . . .
H26 H 0.4423 0.0143 0.6823 0.049 Uiso 1 1 calc R . .
C27 C 0.4697(4) 0.0724(3) 0.5737(5) 0.0307(18) Uani 1 1 d . . .
C28 C 0.5519(3) 0.0659(4) 0.5634(5) 0.042(2) Uani 1 1 d . . .
H28A H 0.5645 0.0680 0.5019 0.063 Uiso 1 1 calc R . .
H28B H 0.5681 0.0232 0.5872 0.063 Uiso 1 1 calc R . .
H28C H 0.5765 0.1021 0.5943 0.063 Uiso 1 1 calc R . .
C29 C 1.1764(4) 0.1463(4) 0.1794(6) 0.059(3) Uani 1 1 d . . .
H29A H 1.1906 0.1091 0.1423 0.088 Uiso 1 1 calc R . .
H29B H 1.2055 0.1450 0.2328 0.088 Uiso 1 1 calc R . .
H29C H 1.1856 0.1882 0.1492 0.088 Uiso 1 1 calc R . .
C30 C 1.0952(4) 0.1411(4) 0.2010(5) 0.039(2) Uani 1 1 d . . .
C31 C 1.0623(4) 0.1229(4) 0.2790(5) 0.043(2) Uani 1 1 d . . .
H31 H 1.0872 0.1086 0.3298 0.051 Uiso 1 1 calc R . .
C32 C 0.9864(4) 0.1295(4) 0.2689(5) 0.0361(19) Uani 1 1 d . . .
H32 H 0.9502 0.1212 0.3118 0.043 Uiso 1 1 calc R . .
C33 C 0.9728(3) 0.1506(3) 0.1834(4) 0.0276(17) Uani 1 1 d . . .
C34 C 0.9068(3) 0.1655(3) 0.1392(4) 0.0266(17) Uani 1 1 d . . .
C35 C 0.9077(3) 0.1832(3) 0.0515(4) 0.0263(17) Uani 1 1 d . . .
C36 C 0.8489(4) 0.1933(3) -0.0070(5) 0.0367(19) Uani 1 1 d . . .
H36 H 0.7977 0.1927 0.0060 0.044 Uiso 1 1 calc R . .
C37 C 0.8807(4) 0.2044(3) -0.0880(5) 0.037(2) Uani 1 1 d . . .
H37 H 0.8550 0.2126 -0.1405 0.045 Uiso 1 1 calc R . .
C38 C 0.9575(4) 0.2010(3) -0.0773(5) 0.039(2) Uani 1 1 d . . .
C39 C 1.0155(4) 0.2093(4) -0.1458(5) 0.053(2) Uani 1 1 d . . .
H39A H 1.0456 0.2484 -0.1326 0.079 Uiso 1 1 calc R . .
H39B H 0.9916 0.2152 -0.2022 0.079 Uiso 1 1 calc R . .
H39C H 1.0469 0.1697 -0.1472 0.079 Uiso 1 1 calc R . .
C40 C 0.8350(3) 0.1639(3) 0.1870(4) 0.0238(17) Uani 1 1 d . . .
C41 C 0.7918(4) 0.2222(4) 0.1921(4) 0.0298(18) Uani 1 1 d . . .
H41 H 0.8089 0.2624 0.1670 0.036 Uiso 1 1 calc R . .
C42 C 0.7247(3) 0.2206(3) 0.2338(4) 0.0247(17) Uani 1 1 d . . .
H42 H 0.6967 0.2603 0.2379 0.030 Uiso 1 1 calc R . .
C43 C 0.6964(3) 0.1626(3) 0.2701(4) 0.0241(17) Uani 1 1 d . . .
C44 C 0.7401(4) 0.1053(4) 0.2651(5) 0.038(2) Uani 1 1 d . . .
H44 H 0.7229 0.0651 0.2902 0.046 Uiso 1 1 calc R . .
C45 C 0.8078(4) 0.1062(4) 0.2242(5) 0.0351(19) Uani 1 1 d . . .
H45 H 0.8362 0.0667 0.2216 0.042 Uiso 1 1 calc R . .
C46 C 0.5097(4) 0.2502(4) 0.5804(5) 0.050(2) Uani 1 1 d . . .
H46A H 0.4607 0.2520 0.5536 0.074 Uiso 1 1 calc R . .
H46B H 0.5208 0.2931 0.6072 0.074 Uiso 1 1 calc R . .
H46C H 0.5105 0.2153 0.6245 0.074 Uiso 1 1 calc R . .
C47 C 0.5656(4) 0.2353(3) 0.5135(4) 0.0293(18) Uani 1 1 d . . .
C48 C 0.6401(4) 0.2549(4) 0.5133(5) 0.0365(19) Uani 1 1 d . . .
H48 H 0.6644 0.2806 0.5563 0.044 Uiso 1 1 calc R . .
C49 C 0.6714(4) 0.2295(4) 0.4387(5) 0.0346(19) Uani 1 1 d . . .
H49 H 0.7213 0.2345 0.4212 0.041 Uiso 1 1 calc R . .
C50 C 0.6153(3) 0.1947(3) 0.3931(4) 0.0248(17) Uani 1 1 d . . .
C51 C 0.6219(3) 0.1617(3) 0.3131(4) 0.0251(17) Uani 1 1 d . . .
C52 C 0.5651(3) 0.1289(3) 0.2686(4) 0.0255(17) Uani 1 1 d . . .
C53 C 0.5696(4) 0.0938(3) 0.1883(4) 0.0313(18) Uani 1 1 d . . .
H53 H 0.6125 0.0889 0.1538 0.038 Uiso 1 1 calc R . .
C54 C 0.5006(4) 0.0685(3) 0.1700(5) 0.0342(19) Uani 1 1 d . . .
H54 H 0.4871 0.0430 0.1208 0.041 Uiso 1 1 calc R . .
C55 C 0.4538(3) 0.0877(3) 0.2386(5) 0.0288(18) Uani 1 1 d . . .
C56 C 0.3733(4) 0.0713(4) 0.2476(5) 0.050(2) Uani 1 1 d . . .
H56A H 0.3628 0.0598 0.3079 0.075 Uiso 1 1 calc R . .
H56B H 0.3612 0.0334 0.2104 0.075 Uiso 1 1 calc R . .
H56C H 0.3436 0.1097 0.2306 0.075 Uiso 1 1 calc R . .
B1 B -0.1554(4) 0.0602(4) 0.7140(6) 0.034(2) Uani 1 1 d . . .
B2 B 1.0530(5) 0.1792(5) 0.0463(6) 0.039(2) Uani 1 1 d . . .
N1 N -0.1336(3) 0.0809(3) 0.6205(4) 0.0298(15) Uani 1 1 d . . .
N2 N -0.0828(3) 0.0511(3) 0.7651(4) 0.0284(14) Uani 1 1 d . . .
N3 N 0.3578(3) 0.1917(3) 0.3888(3) 0.0260(14) Uani 1 1 d . . .
N4 N 0.4273(3) 0.1098(3) 0.5195(4) 0.0277(14) Uani 1 1 d . . .
N5 N 1.0415(3) 0.1566(3) 0.1409(4) 0.0294(14) Uani 1 1 d . . .
N6 N 0.9740(3) 0.1873(3) 0.0055(4) 0.0291(14) Uani 1 1 d . . .
N7 N 0.5500(3) 0.1991(3) 0.4416(4) 0.0284(14) Uani 1 1 d . . .
N8 N 0.4912(3) 0.1236(3) 0.2996(3) 0.0243(14) Uani 1 1 d . . .
F1 F -0.1982(2) 0.1107(2) 0.7498(3) 0.0519(12) Uani 1 1 d . . .
F2 F -0.1956(2) 0.0012(2) 0.7117(3) 0.0486(12) Uani 1 1 d . . .
F3 F 1.0920(2) 0.1302(2) 0.0009(3) 0.0549(13) Uani 1 1 d . . .
F4 F 1.0910(2) 0.2394(2) 0.0417(3) 0.0616(14) Uani 1 1 d . . .
Cu1 Cu 0.45600(4) 0.15652(4) 0.41180(5) 0.0280(3) Uani 1 1 d . . .
C57 C 0.3512(7) 0.6075(6) 0.6530(11) 0.151(7) Uani 1 1 d . . .
H57A H 0.3259 0.6502 0.6415 0.181 Uiso 1 1 calc R . .
H57B H 0.3190 0.5805 0.6907 0.181 Uiso 1 1 calc R . .
Cl1 Cl 0.4293(2) 0.6219(2) 0.7027(3) 0.1675(19) Uani 1 1 d . . .
Cl2 Cl 0.3661(3) 0.56328(18) 0.5499(2) 0.1506(16) Uani 1 1 d . . .
C58 C 0.2793(7) 0.4039(6) 0.4605(8) 0.110(4) Uani 1 1 d . . .
H58A H 0.2610 0.4332 0.5070 0.132 Uiso 1 1 calc R . .
H58B H 0.2456 0.3653 0.4571 0.132 Uiso 1 1 calc R . .
Cl3 Cl 0.2737(3) 0.4459(2) 0.3659(4) 0.206(2) Uani 1 1 d . . .
Cl4 Cl 0.3634(3) 0.3761(3) 0.4894(5) 0.280(4) Uani 1 1 d . . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 C2 C3 109.4(6) . . ?
N2 C2 C1 122.3(7) . . ?
C3 C2 C1 128.3(7) . . ?
C4 C3 C2 108.2(6) . . ?
C4 C3 H3 125.9 . . ?
C2 C3 H3 125.9 . . ?
C3 C4 C5 107.0(6) . . ?
C3 C4 H4 126.5 . . ?
C5 C4 H4 126.5 . . ?
C6 C5 N2 120.8(6) . . ?
C6 C5 C4 130.7(6) . . ?
N2 C5 C4 108.4(6) . . ?
C5 C6 C7 120.8(6) . . ?
C5 C6 C12 120.9(6) . . ?
C7 C6 C12 118.3(6) . . ?
C8 C7 C6 132.1(6) . . ?
C8 C7 N1 108.2(6) . . ?
C6 C7 N1 119.8(6) . . ?
C9 C8 C7 107.8(6) . . ?
C9 C8 H8 126.1 . . ?
C7 C8 H8 126.1 . . ?
C8 C9 C10 107.2(6) . . ?
C8 C9 H9 126.4 . . ?
C10 C9 H9 126.4 . . ?
N1 C10 C9 110.5(6) . . ?
N1 C10 C11 121.5(7) . . ?
C9 C10 C11 128.0(7) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C17 118.3(6) . . ?
C13 C12 C6 121.4(6) . . ?
C17 C12 C6 120.2(6) . . ?
C14 C13 C12 121.1(6) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C13 C14 C15 121.3(6) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 H14 119.3 . . ?
C16 C15 C14 117.5(6) . . ?
C16 C15 C23 122.1(6) . . ?
C14 C15 C23 120.4(6) . . ?
C15 C16 C17 121.8(6) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
C16 C17 C12 119.9(7) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N3 C19 C20 110.3(6) . . ?
N3 C19 C18 122.0(6) . . ?
C20 C19 C18 127.7(7) . . ?
C21 C20 C19 108.2(6) . . ?
C21 C20 H20 125.9 . . ?
C19 C20 H20 125.9 . . ?
C20 C21 C22 106.1(6) . . ?
C20 C21 H21 127.0 . . ?
C22 C21 H21 127.0 . . ?
C23 C22 N3 123.4(6) . . ?
C23 C22 C21 126.8(6) . . ?
N3 C22 C21 109.7(6) . . ?
C24 C23 C22 126.8(6) . . ?
C24 C23 C15 117.0(6) . . ?
C22 C23 C15 116.2(6) . . ?
C23 C24 N4 124.9(6) . . ?
C23 C24 C25 127.0(6) . . ?
N4 C24 C25 108.1(6) . . ?
C26 C25 C24 107.0(6) . . ?
C26 C25 H25 126.5 . . ?
C24 C25 H25 126.5 . . ?
C25 C26 C27 107.9(6) . . ?
C25 C26 H26 126.1 . . ?
C27 C26 H26 126.1 . . ?
N4 C27 C26 110.2(6) . . ?
N4 C27 C28 122.7(6) . . ?
C26 C27 C28 127.1(6) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N5 C30 C31 109.8(6) . . ?
N5 C30 C29 121.3(7) . . ?
C31 C30 C29 128.9(7) . . ?
C32 C31 C30 107.7(7) . . ?
C32 C31 H31 126.2 . . ?
C30 C31 H31 126.2 . . ?
C31 C32 C33 107.7(6) . . ?
C31 C32 H32 126.1 . . ?
C33 C32 H32 126.1 . . ?
C34 C33 C32 131.7(6) . . ?
C34 C33 N5 120.2(6) . . ?
C32 C33 N5 108.1(6) . . ?
C35 C34 C33 120.8(6) . . ?
C35 C34 C40 119.6(6) . . ?
C33 C34 C40 119.5(6) . . ?
N6 C35 C34 121.2(6) . . ?
N6 C35 C36 108.3(6) . . ?
C34 C35 C36 130.3(6) . . ?
C37 C36 C35 106.5(6) . . ?
C37 C36 H36 126.7 . . ?
C35 C36 H36 126.7 . . ?
C36 C37 C38 107.4(6) . . ?
C36 C37 H37 126.3 . . ?
C38 C37 H37 126.3 . . ?
N6 C38 C37 109.9(6) . . ?
N6 C38 C39 122.7(7) . . ?
C37 C38 C39 127.4(7) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 118.3(6) . . ?
C45 C40 C34 122.2(6) . . ?
C41 C40 C34 119.4(6) . . ?
C42 C41 C40 119.7(6) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 122.3(6) . . ?
C41 C42 H42 118.8 . . ?
C43 C42 H42 118.8 . . ?
C42 C43 C44 117.3(6) . . ?
C42 C43 C51 121.2(6) . . ?
C44 C43 C51 121.5(6) . . ?
C45 C44 C43 121.1(7) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C44 C45 C40 121.2(6) . . ?
C44 C45 H45 119.4 . . ?
C40 C45 H45 119.4 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C47 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N7 C47 C48 110.2(6) . . ?
N7 C47 C46 122.6(6) . . ?
C48 C47 C46 127.2(6) . . ?
C49 C48 C47 107.2(6) . . ?
C49 C48 H48 126.4 . . ?
C47 C48 H48 126.4 . . ?
C48 C49 C50 107.5(6) . . ?
C48 C49 H49 126.3 . . ?
C50 C49 H49 126.3 . . ?
N7 C50 C51 124.9(6) . . ?
N7 C50 C49 107.9(6) . . ?
C51 C50 C49 127.2(6) . . ?
C52 C51 C50 126.0(6) . . ?
C52 C51 C43 116.5(6) . . ?
C50 C51 C43 117.5(6) . . ?
C51 C52 N8 123.9(6) . . ?
C51 C52 C53 127.9(6) . . ?
N8 C52 C53 108.1(6) . . ?
C54 C53 C52 107.9(6) . . ?
C54 C53 H53 126.1 . . ?
C52 C53 H53 126.1 . . ?
C53 C54 C55 106.9(6) . . ?
C53 C54 H54 126.6 . . ?
C55 C54 H54 126.6 . . ?
N8 C55 C54 111.4(6) . . ?
N8 C55 C56 122.2(6) . . ?
C54 C55 C56 126.4(6) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
F2 B1 F1 109.9(6) . . ?
F2 B1 N2 110.9(6) . . ?
F1 B1 N2 110.9(6) . . ?
F2 B1 N1 109.8(6) . . ?
F1 B1 N1 108.5(6) . . ?
N2 B1 N1 106.8(5) . . ?
F4 B2 F3 109.5(6) . . ?
F4 B2 N5 111.8(7) . . ?
F3 B2 N5 109.6(7) . . ?
F4 B2 N6 109.8(7) . . ?
F3 B2 N6 109.4(6) . . ?
N5 B2 N6 106.6(6) . . ?
C10 N1 C7 106.2(6) . . ?
C10 N1 B1 127.8(6) . . ?
C7 N1 B1 125.5(5) . . ?
C2 N2 C5 106.9(5) . . ?
C2 N2 B1 127.4(6) . . ?
C5 N2 B1 125.5(6) . . ?
C19 N3 C22 105.7(5) . . ?
C19 N3 Cu1 128.4(4) . . ?
C22 N3 Cu1 125.7(4) . . ?
C27 N4 C24 106.8(5) . . ?
C27 N4 Cu1 129.0(5) . . ?
C24 N4 Cu1 123.7(4) . . ?
C30 N5 C33 106.7(6) . . ?
C30 N5 B2 127.4(6) . . ?
C33 N5 B2 125.9(6) . . ?
C38 N6 C35 107.9(6) . . ?
C38 N6 B2 127.2(6) . . ?
C35 N6 B2 124.9(6) . . ?
C47 N7 C50 107.3(5) . . ?
C47 N7 Cu1 127.2(4) . . ?
C50 N7 Cu1 125.4(4) . . ?
C55 N8 C52 105.8(5) . . ?
C55 N8 Cu1 128.7(4) . . ?
C52 N8 Cu1 125.4(4) . . ?
N3 Cu1 N7 132.6(2) . . ?
N3 Cu1 N8 105.1(2) . . ?
N7 Cu1 N8 94.0(2) . . ?
N3 Cu1 N4 94.8(2) . . ?
N7 Cu1 N4 103.9(2) . . ?
N8 Cu1 N4 131.9(2) . . ?
Cl1 C57 Cl2 111.3(7) . . ?
Cl1 C57 H57A 109.4 . . ?
Cl2 C57 H57A 109.4 . . ?
Cl1 C57 H57B 109.4 . . ?
Cl2 C57 H57B 109.4 . . ?
H57A C57 H57B 108.0 . . ?
Cl4 C58 Cl3 116.6(7) . . ?
Cl4 C58 H58A 108.1 . . ?
Cl3 C58 H58A 108.1 . . ?
Cl4 C58 H58B 108.1 . . ?
Cl3 C58 H58B 108.1 . . ?
H58A C58 H58B 107.3 . . ?
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
C1 C2 1.510(9) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 N2 1.363(8) . ?
C2 C3 1.408(9) . ?
C3 C4 1.370(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.415(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.404(9) . ?
C5 N2 1.408(8) . ?
C6 C7 1.411(9) . ?
C6 C12 1.515(9) . ?
C7 C8 1.404(9) . ?
C7 N1 1.416(8) . ?
C8 C9 1.391(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(10) . ?
C9 H9 0.9500 . ?
C10 N1 1.375(8) . ?
C10 C11 1.506(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.389(9) . ?
C12 C17 1.402(9) . ?
C13 C14 1.386(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.394(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(9) . ?
C15 C23 1.491(8) . ?
C16 C17 1.394(9) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.493(9) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 N3 1.369(8) . ?
C19 C20 1.425(9) . ?
C20 C21 1.380(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.433(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.413(9) . ?
C22 N3 1.420(8) . ?
C23 C24 1.403(9) . ?
C24 N4 1.414(8) . ?
C24 C25 1.428(9) . ?
C25 C26 1.382(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.406(9) . ?
C26 H26 0.9500 . ?
C27 N4 1.364(8) . ?
C27 C28 1.505(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.515(9) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 N5 1.381(9) . ?
C30 C31 1.398(10) . ?
C31 C32 1.391(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.410(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.410(9) . ?
C33 N5 1.416(8) . ?
C34 C35 1.404(9) . ?
C34 C40 1.501(9) . ?
C35 N6 1.403(8) . ?
C35 C36 1.412(9) . ?
C36 C37 1.400(9) . ?
C36 H36 0.9500 . ?
C37 C38 1.405(9) . ?
C37 H37 0.9500 . ?
C38 N6 1.344(9) . ?
C38 C39 1.505(9) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.388(9) . ?
C40 C41 1.415(9) . ?
C41 C42 1.381(8) . ?
C41 H41 0.9500 . ?
C42 C43 1.396(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.403(9) . ?
C43 C51 1.508(8) . ?
C44 C45 1.385(9) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C47 1.482(9) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 N7 1.362(8) . ?
C47 C48 1.408(9) . ?
C48 C49 1.387(9) . ?
C48 H48 0.9500 . ?
C49 C50 1.422(9) . ?
C49 H49 0.9500 . ?
C50 N7 1.408(8) . ?
C50 C51 1.410(9) . ?
C51 C52 1.404(9) . ?
C52 N8 1.429(8) . ?
C52 C53 1.432(9) . ?
C53 C54 1.381(9) . ?
C53 H53 0.9500 . ?
C54 C55 1.417(9) . ?
C54 H54 0.9500 . ?
C55 N8 1.368(8) . ?
C55 C56 1.503(9) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
B1 F2 1.395(9) . ?
B1 F1 1.396(9) . ?
B1 N2 1.545(9) . ?
B1 N1 1.558(10) . ?
B2 F4 1.396(9) . ?
B2 F3 1.406(9) . ?
B2 N5 1.549(11) . ?
B2 N6 1.572(10) . ?
N3 Cu1 1.949(5) . ?
N4 Cu1 1.985(5) . ?
N7 Cu1 1.962(5) . ?
N8 Cu1 1.968(5) . ?
C57 Cl1 1.635(15) . ?
C57 Cl2 1.849(15) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 Cl4 1.683(12) . ?
C58 Cl3 1.694(12) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
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
N2 C2 C3 C4 0.6(8) . . . . ?
C1 C2 C3 C4 -177.9(7) . . . . ?
C2 C3 C4 C5 -0.3(8) . . . . ?
C3 C4 C5 C6 177.6(7) . . . . ?
C3 C4 C5 N2 -0.1(8) . . . . ?
N2 C5 C6 C7 -4.3(10) . . . . ?
C4 C5 C6 C7 178.3(7) . . . . ?
N2 C5 C6 C12 175.7(6) . . . . ?
C4 C5 C6 C12 -1.8(11) . . . . ?
C5 C6 C7 C8 175.4(7) . . . . ?
C12 C6 C7 C8 -4.6(11) . . . . ?
C5 C6 C7 N1 -3.9(10) . . . . ?
C12 C6 C7 N1 176.2(6) . . . . ?
C6 C7 C8 C9 178.1(7) . . . . ?
N1 C7 C8 C9 -2.6(8) . . . . ?
C7 C8 C9 C10 1.6(9) . . . . ?
C8 C9 C10 N1 0.0(9) . . . . ?
C8 C9 C10 C11 179.9(7) . . . . ?
C5 C6 C12 C13 127.9(7) . . . . ?
C7 C6 C12 C13 -52.2(9) . . . . ?
C5 C6 C12 C17 -53.0(9) . . . . ?
C7 C6 C12 C17 127.0(7) . . . . ?
C17 C12 C13 C14 -1.5(10) . . . . ?
C6 C12 C13 C14 177.6(6) . . . . ?
C12 C13 C14 C15 1.0(11) . . . . ?
C13 C14 C15 C16 0.2(10) . . . . ?
C13 C14 C15 C23 -178.3(6) . . . . ?
C14 C15 C16 C17 -0.7(10) . . . . ?
C23 C15 C16 C17 177.8(6) . . . . ?
C15 C16 C17 C12 0.1(11) . . . . ?
C13 C12 C17 C16 1.0(10) . . . . ?
C6 C12 C17 C16 -178.2(6) . . . . ?
N3 C19 C20 C21 -1.1(8) . . . . ?
C18 C19 C20 C21 178.5(7) . . . . ?
C19 C20 C21 C22 1.4(8) . . . . ?
C20 C21 C22 C23 175.5(6) . . . . ?
C20 C21 C22 N3 -1.3(7) . . . . ?
N3 C22 C23 C24 7.4(11) . . . . ?
C21 C22 C23 C24 -169.0(7) . . . . ?
N3 C22 C23 C15 -174.0(6) . . . . ?
C21 C22 C23 C15 9.6(10) . . . . ?
C16 C15 C23 C24 72.3(8) . . . . ?
C14 C15 C23 C24 -109.3(7) . . . . ?
C16 C15 C23 C22 -106.5(7) . . . . ?
C14 C15 C23 C22 72.0(8) . . . . ?
C22 C23 C24 N4 -3.3(11) . . . . ?
C15 C23 C24 N4 178.0(6) . . . . ?
C22 C23 C24 C25 178.1(7) . . . . ?
C15 C23 C24 C25 -0.5(10) . . . . ?
C23 C24 C25 C26 179.5(7) . . . . ?
N4 C24 C25 C26 0.7(8) . . . . ?
C24 C25 C26 C27 -1.0(8) . . . . ?
C25 C26 C27 N4 1.0(8) . . . . ?
C25 C26 C27 C28 -178.4(7) . . . . ?
N5 C30 C31 C32 -2.2(8) . . . . ?
C29 C30 C31 C32 176.3(7) . . . . ?
C30 C31 C32 C33 1.1(8) . . . . ?
C31 C32 C33 C34 -179.2(7) . . . . ?
C31 C32 C33 N5 0.3(8) . . . . ?
C32 C33 C34 C35 -177.2(7) . . . . ?
N5 C33 C34 C35 3.3(10) . . . . ?
C32 C33 C34 C40 4.1(11) . . . . ?
N5 C33 C34 C40 -175.4(6) . . . . ?
C33 C34 C35 N6 -0.7(10) . . . . ?
C40 C34 C35 N6 178.0(6) . . . . ?
C33 C34 C35 C36 172.7(7) . . . . ?
C40 C34 C35 C36 -8.6(11) . . . . ?
N6 C35 C36 C37 -0.8(8) . . . . ?
C34 C35 C36 C37 -174.9(7) . . . . ?
C35 C36 C37 C38 -0.2(8) . . . . ?
C36 C37 C38 N6 1.1(8) . . . . ?
C36 C37 C38 C39 179.7(7) . . . . ?
C35 C34 C40 C45 118.9(7) . . . . ?
C33 C34 C40 C45 -62.4(9) . . . . ?
C35 C34 C40 C41 -58.9(9) . . . . ?
C33 C34 C40 C41 119.9(7) . . . . ?
C45 C40 C41 C42 0.3(10) . . . . ?
C34 C40 C41 C42 178.1(6) . . . . ?
C40 C41 C42 C43 -1.4(10) . . . . ?
C41 C42 C43 C44 1.8(10) . . . . ?
C41 C42 C43 C51 -178.3(6) . . . . ?
C42 C43 C44 C45 -1.2(10) . . . . ?
C51 C43 C44 C45 178.9(6) . . . . ?
C43 C44 C45 C40 0.2(11) . . . . ?
C41 C40 C45 C44 0.3(10) . . . . ?
C34 C40 C45 C44 -177.5(6) . . . . ?
N7 C47 C48 C49 -0.2(8) . . . . ?
C46 C47 C48 C49 179.6(7) . . . . ?
C47 C48 C49 C50 0.3(8) . . . . ?
C48 C49 C50 N7 -0.4(8) . . . . ?
C48 C49 C50 C51 179.0(7) . . . . ?
N7 C50 C51 C52 0.8(11) . . . . ?
C49 C50 C51 C52 -178.5(7) . . . . ?
N7 C50 C51 C43 179.6(6) . . . . ?
C49 C50 C51 C43 0.3(10) . . . . ?
C42 C43 C51 C52 108.0(7) . . . . ?
C44 C43 C51 C52 -72.2(8) . . . . ?
C42 C43 C51 C50 -71.0(8) . . . . ?
C44 C43 C51 C50 108.9(8) . . . . ?
C50 C51 C52 N8 -0.9(11) . . . . ?
C43 C51 C52 N8 -179.7(6) . . . . ?
C50 C51 C52 C53 -178.7(7) . . . . ?
C43 C51 C52 C53 2.4(10) . . . . ?
C51 C52 C53 C54 178.8(7) . . . . ?
N8 C52 C53 C54 0.7(8) . . . . ?
C52 C53 C54 C55 0.0(8) . . . . ?
C53 C54 C55 N8 -0.7(8) . . . . ?
C53 C54 C55 C56 -179.5(7) . . . . ?
C9 C10 N1 C7 -1.6(8) . . . . ?
C11 C10 N1 C7 178.6(6) . . . . ?
C9 C10 N1 B1 170.8(7) . . . . ?
C11 C10 N1 B1 -9.1(11) . . . . ?
C8 C7 N1 C10 2.5(7) . . . . ?
C6 C7 N1 C10 -178.0(6) . . . . ?
C8 C7 N1 B1 -170.1(6) . . . . ?
C6 C7 N1 B1 9.4(10) . . . . ?
F2 B1 N1 C10 62.8(9) . . . . ?
F1 B1 N1 C10 -57.3(9) . . . . ?
N2 B1 N1 C10 -176.9(6) . . . . ?
F2 B1 N1 C7 -126.2(7) . . . . ?
F1 B1 N1 C7 113.7(7) . . . . ?
N2 B1 N1 C7 -5.9(9) . . . . ?
C3 C2 N2 C5 -0.6(8) . . . . ?
C1 C2 N2 C5 178.0(6) . . . . ?
C3 C2 N2 B1 174.1(6) . . . . ?
C1 C2 N2 B1 -7.3(11) . . . . ?
C6 C5 N2 C2 -177.5(6) . . . . ?
C4 C5 N2 C2 0.5(7) . . . . ?
C6 C5 N2 B1 7.6(10) . . . . ?
C4 C5 N2 B1 -174.4(6) . . . . ?
F2 B1 N2 C2 -56.7(9) . . . . ?
F1 B1 N2 C2 65.6(9) . . . . ?
N1 B1 N2 C2 -176.4(6) . . . . ?
F2 B1 N2 C5 117.1(7) . . . . ?
F1 B1 N2 C5 -120.6(7) . . . . ?
N1 B1 N2 C5 -2.6(9) . . . . ?
C20 C19 N3 C22 0.2(8) . . . . ?
C18 C19 N3 C22 -179.4(7) . . . . ?
C20 C19 N3 Cu1 -174.1(5) . . . . ?
C18 C19 N3 Cu1 6.2(10) . . . . ?
C23 C22 N3 C19 -176.3(6) . . . . ?
C21 C22 N3 C19 0.7(7) . . . . ?
C23 C22 N3 Cu1 -1.7(9) . . . . ?
C21 C22 N3 Cu1 175.2(4) . . . . ?
C26 C27 N4 C24 -0.5(8) . . . . ?
C28 C27 N4 C24 179.0(6) . . . . ?
C26 C27 N4 Cu1 -173.2(5) . . . . ?
C28 C27 N4 Cu1 6.3(10) . . . . ?
C23 C24 N4 C27 -178.9(6) . . . . ?
C25 C24 N4 C27 -0.1(7) . . . . ?
C23 C24 N4 Cu1 -5.8(9) . . . . ?
C25 C24 N4 Cu1 173.0(4) . . . . ?
C31 C30 N5 C33 2.3(8) . . . . ?
C29 C30 N5 C33 -176.3(6) . . . . ?
C31 C30 N5 B2 -180.0(7) . . . . ?
C29 C30 N5 B2 1.4(11) . . . . ?
C34 C33 N5 C30 178.0(6) . . . . ?
C32 C33 N5 C30 -1.6(7) . . . . ?
C34 C33 N5 B2 0.2(10) . . . . ?
C32 C33 N5 B2 -179.3(6) . . . . ?
F4 B2 N5 C30 -62.4(9) . . . . ?
F3 B2 N5 C30 59.3(9) . . . . ?
N6 B2 N5 C30 177.6(6) . . . . ?
F4 B2 N5 C33 114.9(7) . . . . ?
F3 B2 N5 C33 -123.5(7) . . . . ?
N6 B2 N5 C33 -5.2(9) . . . . ?
C37 C38 N6 C35 -1.6(8) . . . . ?
C39 C38 N6 C35 179.7(6) . . . . ?
C37 C38 N6 B2 -179.8(6) . . . . ?
C39 C38 N6 B2 1.4(11) . . . . ?
C34 C35 N6 C38 176.2(6) . . . . ?
C36 C35 N6 C38 1.4(7) . . . . ?
C34 C35 N6 B2 -5.5(10) . . . . ?
C36 C35 N6 B2 179.8(6) . . . . ?
F4 B2 N6 C38 64.4(9) . . . . ?
F3 B2 N6 C38 -55.8(10) . . . . ?
N5 B2 N6 C38 -174.2(6) . . . . ?
F4 B2 N6 C35 -113.6(7) . . . . ?
F3 B2 N6 C35 126.2(7) . . . . ?
N5 B2 N6 C35 7.8(9) . . . . ?
C48 C47 N7 C50 -0.1(8) . . . . ?
C46 C47 N7 C50 -179.8(7) . . . . ?
C48 C47 N7 Cu1 177.2(5) . . . . ?
C46 C47 N7 Cu1 -2.5(10) . . . . ?
C51 C50 N7 C47 -179.2(6) . . . . ?
C49 C50 N7 C47 0.3(7) . . . . ?
C51 C50 N7 Cu1 3.5(9) . . . . ?
C49 C50 N7 Cu1 -177.1(4) . . . . ?
C54 C55 N8 C52 1.1(7) . . . . ?
C56 C55 N8 C52 180.0(6) . . . . ?
C54 C55 N8 Cu1 -174.7(4) . . . . ?
C56 C55 N8 Cu1 4.2(9) . . . . ?
C51 C52 N8 C55 -179.3(6) . . . . ?
C53 C52 N8 C55 -1.1(7) . . . . ?
C51 C52 N8 Cu1 -3.3(9) . . . . ?
C53 C52 N8 Cu1 174.9(4) . . . . ?
C19 N3 Cu1 N7 54.7(7) . . . . ?
C22 N3 Cu1 N7 -118.6(5) . . . . ?
C19 N3 Cu1 N8 -55.7(6) . . . . ?
C22 N3 Cu1 N8 131.0(5) . . . . ?
C19 N3 Cu1 N4 168.5(6) . . . . ?
C22 N3 Cu1 N4 -4.8(5) . . . . ?
C47 N7 Cu1 N3 62.8(7) . . . . ?
C50 N7 Cu1 N3 -120.4(5) . . . . ?
C47 N7 Cu1 N8 177.6(6) . . . . ?
C50 N7 Cu1 N8 -5.6(5) . . . . ?
C47 N7 Cu1 N4 -47.4(6) . . . . ?
C50 N7 Cu1 N4 129.4(5) . . . . ?
C55 N8 Cu1 N3 -43.2(6) . . . . ?
C52 N8 Cu1 N3 141.8(5) . . . . ?
C55 N8 Cu1 N7 -179.5(6) . . . . ?
C52 N8 Cu1 N7 5.5(5) . . . . ?
C55 N8 Cu1 N4 67.8(6) . . . . ?
C52 N8 Cu1 N4 -107.2(5) . . . . ?
C27 N4 Cu1 N3 179.8(6) . . . . ?
C24 N4 Cu1 N3 8.3(5) . . . . ?
C27 N4 Cu1 N7 -44.0(6) . . . . ?
C24 N4 Cu1 N7 144.4(5) . . . . ?
C27 N4 Cu1 N8 64.6(6) . . . . ?
C24 N4 Cu1 N8 -107.0(5) . . . . ?
