# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Andrea Biffis'
_publ_contact_author_email       ANDREA.BIFFIS@UNIPD.IT

_publ_section_title              
;
Trinuclear copper(I) complexes with triscarbene
ligands: catalysis of C-N and C-C coupling reactions
;
loop_
_publ_author_name
'Andrea Biffis'
'Eleuterio Alvarez'
'Marino Basato'
'Salvador Conejero'
'Grazia Papini'
'Carlo Santini'
;
E.Scattolin
;
'Cristina Tubaro'

# Attachment 'ea03305b.cif'

data_ea03305b
_database_code_depnum_ccdc_archive 'CCDC 726192'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;

_chemical_formula_moiety         'C24 H32 B2 Cu3 N12, F6 P'
_chemical_formula_sum            'C24 H32 B2 Cu3 F6 N12 P'
_chemical_formula_weight         845.83

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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1659(6)
_cell_length_b                   15.2179(8)
_cell_length_c                   16.9149(9)
_cell_angle_alpha                86.910(1)
_cell_angle_beta                 76.367(1)
_cell_angle_gamma                73.979(1)
_cell_volume                     3405.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9073
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      28.86

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1704
_exptl_absorpt_coefficient_mu    1.973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7382
_exptl_absorpt_correction_T_max  0.7735
_exptl_absorpt_process_details   
;
SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
X-ray Solutions, Madison, Wisconsin, USA.
;
_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  
;
Bruker-Nonius X8kappa APEX II CCD area detector'
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_decay_%        0
_diffrn_reflns_number            55191
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         30.42
_reflns_number_total             20099
_reflns_number_gt                14981
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker (2006). APEX 2. Version 2.1.'
_computing_cell_refinement       'Bruker (2006). APEX 2. Version 2.1.'
_computing_data_reduction        'Bruker (2006). APEX 2. Version 2.1.'
_computing_structure_solution    'Bruker (2006). APEX 2. Version 2.1.'
_computing_structure_refinement  'XL, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_publication_material  'XCIF, SHELXTL v. 6.14 (Bruker, 2003)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1068P)^2^+18.9643P] where P=(Fo^2^+2Fc^2^)/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         20099
_refine_ls_number_parameters     865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.1459
_refine_ls_wR_factor_gt          0.1281
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.66266(5) 0.80526(5) 0.48416(4) 0.03064(13) Uani 1 1 d . . .
Cu2 Cu 0.79290(5) 0.64586(5) 0.42071(4) 0.03232(14) Uani 1 1 d . . .
Cu3 Cu 0.59375(5) 0.68527(4) 0.42647(4) 0.02663(13) Uani 1 1 d . . .
N1 N 0.5689(4) 0.7080(4) 0.6248(3) 0.0378(11) Uani 1 1 d . . .
N2 N 0.4726(4) 0.8409(4) 0.6055(3) 0.0387(11) Uani 1 1 d . . .
N3 N 0.7597(4) 0.6362(4) 0.5997(3) 0.0424(12) Uani 1 1 d . . .
N4 N 0.9029(4) 0.6594(4) 0.5427(4) 0.0471(13) Uani 1 1 d . . .
N5 N 0.6483(4) 0.5525(3) 0.5545(3) 0.0384(11) Uani 1 1 d . . .
N6 N 0.6338(4) 0.4881(3) 0.4477(3) 0.0396(11) Uani 1 1 d . . .
N7 N 0.7754(4) 0.8402(3) 0.3178(3) 0.0328(9) Uani 1 1 d . . .
N8 N 0.8293(4) 0.8825(3) 0.4152(3) 0.0341(10) Uani 1 1 d . . .
N9 N 0.7664(4) 0.6959(3) 0.2528(3) 0.0324(9) Uani 1 1 d . . .
N10 N 0.8333(4) 0.5523(4) 0.2677(3) 0.0411(11) Uani 1 1 d . . .
N11 N 0.6056(4) 0.8277(3) 0.3002(3) 0.0300(9) Uani 1 1 d . . .
N12 N 0.4544(4) 0.8413(3) 0.3720(3) 0.0336(9) Uani 1 1 d . . .
B1 B 0.6534(5) 0.6184(6) 0.6185(4) 0.0431(16) Uani 1 1 d . . .
H1 H 0.6437 0.5879 0.6725 0.052 Uiso 1 1 d R . .
B2 B 0.7206(5) 0.8008(5) 0.2651(4) 0.0328(12) Uani 1 1 d . . .
H2 H 0.7328 0.8291 0.2103 0.039 Uiso 1 1 d R . .
C1 C 0.5651(4) 0.7824(4) 0.5767(3) 0.0333(11) Uani 1 1 d . . .
C2 C 0.4790(5) 0.7208(6) 0.6842(4) 0.0507(17) Uani 1 1 d . . .
H2A H 0.4629 0.6792 0.7257 0.061 Uiso 1 1 d R . .
C3 C 0.4196(5) 0.8035(5) 0.6711(4) 0.0476(16) Uani 1 1 d . . .
H3 H 0.3532 0.8311 0.7016 0.057 Uiso 1 1 d R . .
C4 C 0.4353(6) 0.9320(5) 0.5766(5) 0.0492(15) Uani 1 1 d . . .
H4A H 0.4604 0.9749 0.6015 0.074 Uiso 1 1 d R . .
H4B H 0.3613 0.9499 0.5912 0.074 Uiso 1 1 d R . .
H4C H 0.4588 0.9329 0.5173 0.074 Uiso 1 1 d R . .
C5 C 0.8190(4) 0.6445(4) 0.5260(4) 0.0374(12) Uani 1 1 d . . .
C6 C 0.8055(6) 0.6476(6) 0.6606(4) 0.058(2) Uani 1 1 d . . .
H6 H 0.7782 0.6461 0.7174 0.069 Uiso 1 1 d R . .
C7 C 0.8954(6) 0.6609(7) 0.6250(5) 0.061(2) Uani 1 1 d . . .
H7 H 0.9443 0.6699 0.6516 0.073 Uiso 1 1 d R . .
C8 C 0.9920(5) 0.6643(6) 0.4807(5) 0.0590(19) Uani 1 1 d . . .
H8A H 1.0387 0.6030 0.4704 0.088 Uiso 1 1 d R . .
H8B H 1.0254 0.7049 0.4995 0.088 Uiso 1 1 d R . .
H8C H 0.9720 0.6881 0.4304 0.088 Uiso 1 1 d R . .
C9 C 0.6234(4) 0.5713(4) 0.4809(3) 0.0311(10) Uani 1 1 d . . .
C10 C 0.6741(5) 0.4570(5) 0.5632(6) 0.059(2) Uani 1 1 d . . .
H10 H 0.6945 0.4251 0.6088 0.071 Uiso 1 1 d R . .
C11 C 0.6656(5) 0.4190(4) 0.4987(6) 0.0554(19) Uani 1 1 d . . .
H11 H 0.6790 0.3554 0.4889 0.066 Uiso 1 1 d R . .
C12 C 0.6113(6) 0.4764(5) 0.3694(5) 0.0526(17) Uani 1 1 d . . .
H12A H 0.6226 0.5274 0.3339 0.079 Uiso 1 1 d R . .
H12B H 0.5408 0.4754 0.3781 0.079 Uiso 1 1 d R . .
H12C H 0.6556 0.4188 0.3438 0.079 Uiso 1 1 d R . .
C13 C 0.7580(4) 0.8452(4) 0.4005(3) 0.0291(10) Uani 1 1 d . . .
C14 C 0.8568(5) 0.8744(5) 0.2829(4) 0.0445(15) Uani 1 1 d . . .
H14 H 0.8841 0.8782 0.2263 0.053 Uiso 1 1 d R . .
C15 C 0.8903(5) 0.9011(5) 0.3429(4) 0.0467(15) Uani 1 1 d . . .
H15 H 0.9451 0.9274 0.3371 0.056 Uiso 1 1 d R . .
C16 C 0.8377(6) 0.9033(5) 0.4961(4) 0.0488(16) Uani 1 1 d . . .
H16A H 0.8063 0.9685 0.5084 0.073 Uiso 1 1 d R . .
H16B H 0.9091 0.8883 0.4977 0.073 Uiso 1 1 d R . .
H16C H 0.8033 0.8669 0.5365 0.073 Uiso 1 1 d R . .
C17 C 0.7959(4) 0.6338(4) 0.3085(3) 0.0321(10) Uani 1 1 d . . .
C18 C 0.7880(5) 0.6526(5) 0.1783(3) 0.0402(13) Uani 1 1 d . . .
H18 H 0.7755 0.6815 0.1292 0.048 Uiso 1 1 d R . .
C19 C 0.8295(5) 0.5637(6) 0.1870(4) 0.0512(18) Uani 1 1 d . . .
H19 H 0.8518 0.5176 0.1458 0.061 Uiso 1 1 d R . .
C20 C 0.8768(6) 0.4654(5) 0.3027(5) 0.0583(19) Uani 1 1 d . . .
H20A H 0.8608 0.4715 0.3621 0.087 Uiso 1 1 d R . .
H20B H 0.9502 0.4477 0.2819 0.087 Uiso 1 1 d R . .
H20C H 0.8486 0.4184 0.2876 0.087 Uiso 1 1 d R . .
C21 C 0.5516(4) 0.7897(3) 0.3627(3) 0.0261(9) Uani 1 1 d . . .
C22 C 0.5405(5) 0.9023(4) 0.2716(4) 0.0401(13) Uani 1 1 d . . .
H22 H 0.5594 0.9409 0.2283 0.048 Uiso 1 1 d R . .
C23 C 0.4469(6) 0.9100(4) 0.3161(4) 0.0458(15) Uani 1 1 d . . .
H23 H 0.3870 0.9543 0.3099 0.055 Uiso 1 1 d R . .
C24 C 0.3688(4) 0.8233(5) 0.4318(4) 0.0406(13) Uani 1 1 d . . .
H24A H 0.3934 0.7856 0.4755 0.061 Uiso 1 1 d R . .
H24B H 0.3336 0.7908 0.4053 0.061 Uiso 1 1 d R . .
H24C H 0.3223 0.8813 0.4547 0.061 Uiso 1 1 d R . .
Cu4 Cu 0.15489(5) 0.83571(4) 0.09371(4) 0.02771(13) Uani 1 1 d . . .
Cu5 Cu 0.32122(5) 0.88961(4) 0.10426(4) 0.02709(13) Uani 1 1 d . . .
Cu6 Cu 0.33305(5) 0.72232(5) 0.04405(4) 0.03300(15) Uani 1 1 d . . .
N13 N 0.1823(3) 0.7003(3) 0.2259(3) 0.0314(9) Uani 1 1 d . . .
N14 N 0.0852(4) 0.6769(4) 0.1525(3) 0.0400(11) Uani 1 1 d . . .
N15 N 0.2227(3) 0.8414(3) 0.2703(3) 0.0281(8) Uani 1 1 d . . .
N16 N 0.1943(3) 0.9867(3) 0.2522(3) 0.0290(8) Uani 1 1 d . . .
N17 N 0.3655(3) 0.7006(3) 0.2130(3) 0.0295(9) Uani 1 1 d . . .
N18 N 0.5038(4) 0.6650(3) 0.1193(3) 0.0372(10) Uani 1 1 d . . .
N19 N 0.2063(3) 0.9638(3) -0.0395(2) 0.0261(8) Uani 1 1 d . . .
N20 N 0.0862(3) 1.0267(3) 0.0618(3) 0.0302(9) Uani 1 1 d . . .
N21 N 0.3949(3) 0.8829(3) -0.0761(3) 0.0316(9) Uani 1 1 d . . .
N22 N 0.5133(3) 0.8711(4) -0.0126(3) 0.0349(10) Uani 1 1 d . . .
N23 N 0.2677(3) 0.8046(3) -0.1035(3) 0.0280(8) Uani 1 1 d . . .
N24 N 0.2385(4) 0.6722(3) -0.0770(3) 0.0413(11) Uani 1 1 d . . .
B3 B 0.2551(5) 0.7357(4) 0.2627(4) 0.0314(11) Uani 1 1 d . . .
H3A H 0.2522 0.7106 0.3189 0.038 Uiso 1 1 d R . .
B4 B 0.2925(4) 0.8962(4) -0.0999(3) 0.0288(11) Uani 1 1 d . . .
H4 H 0.2980 0.9235 -0.1553 0.035 Uiso 1 1 d R . .
C25 C 0.1404(4) 0.7341(4) 0.1627(3) 0.0309(10) Uani 1 1 d . . .
C26 C 0.1523(5) 0.6228(5) 0.2546(4) 0.0472(16) Uani 1 1 d . . .
H26 H 0.1725 0.5857 0.2979 0.057 Uiso 1 1 d R . .
C27 C 0.0899(6) 0.6093(5) 0.2105(5) 0.0516(17) Uani 1 1 d . . .
H27 H 0.0557 0.5628 0.2179 0.062 Uiso 1 1 d R . .
C28 C 0.0202(6) 0.6916(6) 0.0950(5) 0.0531(18) Uani 1 1 d . . .
H28A H -0.0462 0.7319 0.1199 0.080 Uiso 1 1 d R . .
H28B H 0.0125 0.6329 0.0806 0.080 Uiso 1 1 d R . .
H28C H 0.0506 0.7201 0.0458 0.080 Uiso 1 1 d R . .
C29 C 0.2442(4) 0.9050(3) 0.2142(3) 0.0259(9) Uani 1 1 d . . .
C30 C 0.1612(4) 0.8843(4) 0.3415(3) 0.0336(11) Uani 1 1 d . . .
H30 H 0.1358 0.8550 0.3897 0.040 Uiso 1 1 d R . .
C31 C 0.1437(4) 0.9759(4) 0.3300(3) 0.0355(11) Uani 1 1 d . . .
H31 H 0.1043 1.0229 0.3682 0.043 Uiso 1 1 d R . .
C32 C 0.1989(5) 1.0752(4) 0.2168(4) 0.0404(13) Uani 1 1 d . . .
H32A H 0.2510 1.0953 0.2342 0.061 Uiso 1 1 d R . .
H32B H 0.1334 1.1199 0.2351 0.061 Uiso 1 1 d R . .
H32C H 0.2155 1.0699 0.1574 0.061 Uiso 1 1 d R . .
C33 C 0.4017(4) 0.6950(4) 0.1311(3) 0.0306(10) Uani 1 1 d . . .
C34 C 0.4463(4) 0.6726(4) 0.2504(4) 0.0384(12) Uani 1 1 d . . .
H34 H 0.4415 0.6697 0.3074 0.046 Uiso 1 1 d R . .
C35 C 0.5312(5) 0.6506(5) 0.1929(4) 0.0442(14) Uani 1 1 d . . .
H35 H 0.5979 0.6291 0.2010 0.053 Uiso 1 1 d R . .
C36 C 0.5737(5) 0.6443(6) 0.0398(5) 0.0570(19) Uani 1 1 d . . .
H36A H 0.5772 0.5831 0.0219 0.086 Uiso 1 1 d R . .
H36B H 0.6409 0.6465 0.0439 0.086 Uiso 1 1 d R . .
H36C H 0.5499 0.6894 0.0003 0.086 Uiso 1 1 d R . .
C37 C 0.1494(4) 0.9446(3) 0.0324(3) 0.0261(9) Uani 1 1 d . . .
C38 C 0.1804(5) 1.0566(4) -0.0535(4) 0.0366(12) Uani 1 1 d . . .
H38 H 0.2106 1.0868 -0.0991 0.044 Uiso 1 1 d R . .
C39 C 0.1047(5) 1.0970(4) 0.0090(4) 0.0392(12) Uani 1 1 d . . .
H39 H 0.0708 1.1603 0.0158 0.047 Uiso 1 1 d R . .
C40 C 0.0075(5) 1.0397(5) 0.1360(4) 0.0429(14) Uani 1 1 d . . .
H40A H -0.0503 1.0217 0.1265 0.064 Uiso 1 1 d R . .
H40B H -0.0140 1.1042 0.1527 0.064 Uiso 1 1 d R . .
H40C H 0.0335 1.0020 0.1791 0.064 Uiso 1 1 d R . .
C41 C 0.4116(4) 0.8855(4) -0.0002(3) 0.0290(10) Uani 1 1 d . . .
C42 C 0.4851(4) 0.8667(5) -0.1329(4) 0.0425(14) Uani 1 1 d . . .
H42 H 0.4934 0.8619 -0.1900 0.051 Uiso 1 1 d R . .
C43 C 0.5596(5) 0.8591(5) -0.0939(4) 0.0455(15) Uani 1 1 d . . .
H43 H 0.6298 0.8476 -0.1177 0.055 Uiso 1 1 d R . .
C44 C 0.5654(5) 0.8749(5) 0.0521(4) 0.0479(15) Uani 1 1 d . . .
H44A H 0.5766 0.9356 0.0532 0.072 Uiso 1 1 d R . .
H44B H 0.6306 0.8284 0.0416 0.072 Uiso 1 1 d R . .
H44C H 0.5240 0.8635 0.1047 0.072 Uiso 1 1 d R . .
C45 C 0.2789(4) 0.7340(4) -0.0508(3) 0.0335(11) Uani 1 1 d . . .
C46 C 0.2186(4) 0.7864(4) -0.1604(3) 0.0346(11) Uani 1 1 d . . .
H46 H 0.2007 0.8254 -0.2034 0.042 Uiso 1 1 d R . .
C47 C 0.2009(5) 0.7043(5) -0.1443(4) 0.0450(14) Uani 1 1 d . . .
H47 H 0.1687 0.6743 -0.1734 0.054 Uiso 1 1 d R . .
C48 C 0.2386(8) 0.5833(5) -0.0405(5) 0.061(2) Uani 1 1 d . . .
H48A H 0.2858 0.5350 -0.0775 0.092 Uiso 1 1 d R . .
H48B H 0.1706 0.5752 -0.0305 0.092 Uiso 1 1 d R . .
H48C H 0.2594 0.5800 0.0112 0.092 Uiso 1 1 d R . .
P1 P 0.87620(12) 0.17522(12) 0.39006(9) 0.0390(3) Uani 1 1 d . . .
F1 F 0.8347(4) 0.2291(3) 0.4745(3) 0.0681(13) Uani 1 1 d . . .
F2 F 0.9188(4) 0.1164(4) 0.3083(3) 0.0701(13) Uani 1 1 d . . .
F3 F 0.9814(5) 0.1942(6) 0.3801(4) 0.112(3) Uani 1 1 d . . .
F4 F 0.7757(5) 0.1471(7) 0.4024(4) 0.133(3) Uani 1 1 d . . .
F5 F 0.9199(5) 0.0870(4) 0.4385(3) 0.0892(19) Uani 1 1 d . . .
F6 F 0.8323(9) 0.2592(5) 0.3434(4) 0.163(5) Uani 1 1 d . . .
P2 P 0.13009(12) 0.34583(11) 0.09214(9) 0.0368(3) Uani 1 1 d . . .
F7 F 0.2275(7) 0.3693(9) 0.1053(7) 0.178(5) Uani 1 1 d . . .
F8 F 0.0384(6) 0.3224(9) 0.0810(8) 0.193(6) Uani 1 1 d . . .
F9 F 0.1872(11) 0.2790(8) 0.0207(7) 0.224(8) Uani 1 1 d . . .
F10 F 0.0723(8) 0.4135(8) 0.1568(9) 0.239(8) Uani 1 1 d . . .
F11 F 0.1513(19) 0.2704(10) 0.1426(11) 0.319(12) Uani 1 1 d . . .
F12 F 0.1457(13) 0.4153(9) 0.0266(8) 0.228(7) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cu1 0.0349(3) 0.0334(3) 0.0261(3) 0.0006(2) -0.0046(2) -0.0153(3)
Cu2 0.0295(3) 0.0372(3) 0.0305(3) 0.0033(3) -0.0081(2) -0.0089(3)
Cu3 0.0291(3) 0.0246(3) 0.0300(3) 0.0069(2) -0.0114(2) -0.0108(2)
N1 0.038(2) 0.054(3) 0.025(2) 0.007(2) -0.0054(18) -0.020(2)
N2 0.037(2) 0.044(3) 0.037(2) -0.011(2) -0.0052(19) -0.014(2)
N3 0.040(3) 0.059(3) 0.037(2) 0.019(2) -0.023(2) -0.019(2)
N4 0.035(3) 0.062(4) 0.050(3) 0.012(3) -0.019(2) -0.016(2)
N5 0.030(2) 0.038(3) 0.049(3) 0.022(2) -0.014(2) -0.0129(19)
N6 0.033(2) 0.028(2) 0.056(3) -0.002(2) -0.007(2) -0.0085(18)
N7 0.041(2) 0.036(2) 0.029(2) 0.0047(17) -0.0062(18) -0.024(2)
N8 0.038(2) 0.036(2) 0.036(2) -0.0022(19) -0.0112(19) -0.021(2)
N9 0.034(2) 0.041(2) 0.026(2) -0.0043(17) -0.0019(16) -0.0213(19)
N10 0.034(2) 0.042(3) 0.045(3) -0.014(2) 0.004(2) -0.016(2)
N11 0.039(2) 0.031(2) 0.028(2) 0.0094(16) -0.0166(17) -0.0159(18)
N12 0.033(2) 0.031(2) 0.041(2) 0.0010(18) -0.0182(19) -0.0069(18)
B1 0.041(3) 0.061(4) 0.032(3) 0.022(3) -0.015(3) -0.020(3)
B2 0.043(3) 0.041(3) 0.024(2) 0.008(2) -0.012(2) -0.025(3)
C1 0.034(3) 0.044(3) 0.027(2) 0.000(2) -0.0087(19) -0.017(2)
C2 0.048(4) 0.081(5) 0.027(3) 0.000(3) 0.001(2) -0.033(4)
C3 0.038(3) 0.070(5) 0.036(3) -0.010(3) 0.004(2) -0.024(3)
C4 0.054(4) 0.042(3) 0.055(4) -0.017(3) -0.014(3) -0.012(3)
C5 0.035(3) 0.044(3) 0.039(3) 0.012(2) -0.018(2) -0.014(2)
C6 0.057(4) 0.088(6) 0.040(3) 0.021(4) -0.028(3) -0.029(4)
C7 0.059(4) 0.093(6) 0.054(4) 0.024(4) -0.039(4) -0.039(4)
C8 0.037(3) 0.079(5) 0.065(5) 0.005(4) -0.012(3) -0.024(3)
C9 0.027(2) 0.027(2) 0.040(3) 0.011(2) -0.009(2) -0.0096(19)
C10 0.046(4) 0.042(4) 0.090(6) 0.042(4) -0.026(4) -0.012(3)
C11 0.041(3) 0.024(3) 0.097(6) 0.010(3) -0.012(4) -0.008(2)
C12 0.047(4) 0.046(4) 0.067(5) -0.015(3) -0.005(3) -0.020(3)
C13 0.031(2) 0.030(2) 0.031(2) -0.0010(19) -0.0087(19) -0.0140(19)
C14 0.051(4) 0.057(4) 0.036(3) 0.004(3) -0.003(2) -0.038(3)
C15 0.048(3) 0.061(4) 0.042(3) 0.003(3) -0.007(3) -0.036(3)
C16 0.064(4) 0.056(4) 0.042(3) -0.001(3) -0.023(3) -0.032(3)
C17 0.029(2) 0.037(3) 0.031(2) -0.006(2) 0.0008(19) -0.016(2)
C18 0.040(3) 0.061(4) 0.026(2) -0.013(2) 0.000(2) -0.028(3)
C19 0.040(3) 0.072(5) 0.046(3) -0.028(3) 0.003(3) -0.029(3)
C20 0.045(4) 0.038(3) 0.078(5) -0.009(3) 0.005(3) -0.005(3)
C21 0.029(2) 0.027(2) 0.027(2) 0.0037(17) -0.0125(18) -0.0107(18)
C22 0.059(4) 0.033(3) 0.040(3) 0.016(2) -0.031(3) -0.019(3)
C23 0.056(4) 0.031(3) 0.056(4) 0.005(3) -0.034(3) -0.005(3)
C24 0.029(3) 0.046(3) 0.045(3) -0.004(3) -0.010(2) -0.006(2)
Cu4 0.0256(3) 0.0290(3) 0.0301(3) 0.0089(2) -0.0091(2) -0.0094(2)
Cu5 0.0294(3) 0.0301(3) 0.0233(3) 0.0005(2) -0.0056(2) -0.0111(2)
Cu6 0.0378(3) 0.0286(3) 0.0310(3) -0.0015(2) -0.0151(3) 0.0000(3)
N13 0.034(2) 0.032(2) 0.033(2) 0.0114(17) -0.0128(18) -0.0160(18)
N14 0.044(3) 0.042(3) 0.047(3) 0.014(2) -0.020(2) -0.028(2)
N15 0.029(2) 0.031(2) 0.0252(19) 0.0033(16) -0.0082(16) -0.0097(16)
N16 0.030(2) 0.027(2) 0.031(2) -0.0017(16) -0.0121(17) -0.0052(16)
N17 0.033(2) 0.026(2) 0.033(2) 0.0039(16) -0.0175(17) -0.0066(16)
N18 0.031(2) 0.037(3) 0.039(2) 0.001(2) -0.0082(19) -0.0015(19)
N19 0.029(2) 0.0249(19) 0.0254(19) 0.0041(15) -0.0098(15) -0.0067(15)
N20 0.028(2) 0.029(2) 0.031(2) -0.0016(16) -0.0100(16) 0.0006(16)
N21 0.025(2) 0.043(3) 0.026(2) -0.0027(18) -0.0029(16) -0.0107(18)
N22 0.027(2) 0.046(3) 0.034(2) -0.0011(19) -0.0067(17) -0.0120(19)
N23 0.0246(19) 0.033(2) 0.0263(19) -0.0046(16) -0.0074(15) -0.0047(16)
N24 0.057(3) 0.030(2) 0.041(3) -0.003(2) -0.021(2) -0.008(2)
B3 0.034(3) 0.031(3) 0.034(3) 0.009(2) -0.015(2) -0.012(2)
B4 0.031(3) 0.034(3) 0.022(2) 0.001(2) -0.007(2) -0.009(2)
C25 0.032(2) 0.035(3) 0.031(2) 0.009(2) -0.0103(19) -0.016(2)
C26 0.057(4) 0.045(3) 0.053(4) 0.027(3) -0.026(3) -0.029(3)
C27 0.061(4) 0.048(4) 0.063(4) 0.028(3) -0.026(3) -0.038(3)
C28 0.050(4) 0.068(5) 0.059(4) 0.017(3) -0.028(3) -0.034(4)
C29 0.025(2) 0.026(2) 0.028(2) 0.0021(17) -0.0088(17) -0.0074(17)
C30 0.033(3) 0.040(3) 0.025(2) 0.000(2) -0.0067(19) -0.007(2)
C31 0.032(3) 0.040(3) 0.033(3) -0.005(2) -0.009(2) -0.005(2)
C32 0.047(3) 0.026(3) 0.048(3) 0.001(2) -0.013(3) -0.008(2)
C33 0.030(2) 0.028(2) 0.034(2) 0.0017(19) -0.012(2) -0.0053(19)
C34 0.037(3) 0.041(3) 0.041(3) 0.003(2) -0.025(2) -0.004(2)
C35 0.037(3) 0.047(3) 0.054(4) 0.008(3) -0.028(3) -0.008(3)
C36 0.038(3) 0.065(5) 0.049(4) 0.001(3) 0.000(3) 0.009(3)
C37 0.022(2) 0.030(2) 0.029(2) 0.0014(18) -0.0098(17) -0.0077(17)
C38 0.045(3) 0.027(3) 0.041(3) 0.014(2) -0.016(2) -0.012(2)
C39 0.048(3) 0.023(2) 0.049(3) 0.003(2) -0.022(3) -0.005(2)
C40 0.033(3) 0.052(4) 0.036(3) -0.007(3) -0.005(2) 0.000(2)
C41 0.028(2) 0.036(3) 0.025(2) 0.0006(19) -0.0085(18) -0.0114(19)
C42 0.032(3) 0.065(4) 0.028(3) -0.005(3) 0.001(2) -0.016(3)
C43 0.030(3) 0.074(5) 0.032(3) -0.005(3) -0.003(2) -0.017(3)
C44 0.042(3) 0.066(4) 0.045(3) 0.003(3) -0.021(3) -0.023(3)
C45 0.038(3) 0.029(2) 0.031(2) -0.0050(19) -0.010(2) -0.002(2)
C46 0.034(3) 0.042(3) 0.029(2) -0.004(2) -0.012(2) -0.008(2)
C47 0.054(4) 0.041(3) 0.047(3) -0.009(3) -0.022(3) -0.013(3)
C48 0.100(7) 0.031(3) 0.063(5) 0.003(3) -0.036(5) -0.021(4)
P1 0.0373(7) 0.0445(8) 0.0324(7) -0.0037(6) -0.0070(6) -0.0066(6)
F1 0.078(3) 0.062(3) 0.047(2) -0.015(2) -0.007(2) 0.005(2)
F2 0.082(3) 0.084(3) 0.040(2) -0.021(2) -0.008(2) -0.016(3)
F3 0.085(4) 0.156(7) 0.105(5) -0.047(5) 0.020(4) -0.078(5)
F4 0.061(4) 0.252(11) 0.101(5) -0.050(6) -0.005(3) -0.072(5)
F5 0.125(5) 0.068(3) 0.054(3) 0.005(2) -0.019(3) 0.006(3)
F6 0.275(12) 0.070(4) 0.077(4) 0.016(3) -0.039(6) 0.058(6)
P2 0.0389(7) 0.0376(7) 0.0313(7) -0.0018(6) -0.0055(6) -0.0075(6)
F7 0.102(7) 0.274(14) 0.183(10) -0.076(10) -0.011(6) -0.095(8)
F8 0.079(5) 0.276(13) 0.254(12) -0.119(11) -0.019(6) -0.089(7)
F9 0.284(15) 0.156(9) 0.191(11) -0.122(8) 0.132(10) -0.126(10)
F10 0.164(9) 0.220(11) 0.297(14) -0.212(11) 0.144(9) -0.119(8)
F11 0.58(4) 0.165(12) 0.31(2) 0.159(13) -0.30(2) -0.119(17)
F12 0.335(19) 0.165(10) 0.197(12) 0.107(10) -0.039(12) -0.126(12)

_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 C13 1.912(5) . ?
Cu1 C1 1.915(5) . ?
Cu1 Cu3 2.6199(9) . ?
Cu1 Cu2 2.7049(10) . ?
Cu2 C5 1.901(6) . ?
Cu2 C17 1.905(5) . ?
Cu2 Cu3 2.6965(9) . ?
Cu3 C9 1.908(5) . ?
Cu3 C21 1.908(5) . ?
N1 C1 1.355(7) . ?
N1 C2 1.397(8) . ?
N1 B1 1.535(10) . ?
N2 C1 1.360(8) . ?
N2 C3 1.376(8) . ?
N2 C4 1.443(9) . ?
N3 C5 1.350(8) . ?
N3 C6 1.382(8) . ?
N3 B1 1.558(9) . ?
N4 C5 1.362(7) . ?
N4 C7 1.372(9) . ?
N4 C8 1.456(9) . ?
N5 C9 1.366(7) . ?
N5 C10 1.406(8) . ?
N5 B1 1.543(10) . ?
N6 C11 1.369(9) . ?
N6 C9 1.370(7) . ?
N6 C12 1.463(9) . ?
N7 C13 1.364(7) . ?
N7 C14 1.388(7) . ?
N7 B2 1.548(7) . ?
N8 C13 1.363(6) . ?
N8 C15 1.386(8) . ?
N8 C16 1.459(7) . ?
N9 C17 1.352(8) . ?
N9 C18 1.382(7) . ?
N9 B2 1.553(8) . ?
N10 C17 1.361(7) . ?
N10 C19 1.379(9) . ?
N10 C20 1.455(10) . ?
N11 C21 1.354(6) . ?
N11 C22 1.394(7) . ?
N11 B2 1.542(8) . ?
N12 C21 1.361(7) . ?
N12 C23 1.370(8) . ?
N12 C24 1.465(8) . ?
B1 H1 1.0000 . ?
B2 H2 1.0000 . ?
C2 C3 1.348(11) . ?
C2 H2A 0.9500 . ?
C3 H3 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C6 C7 1.339(11) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C10 C11 1.308(13) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C14 C15 1.341(9) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C18 C19 1.333(11) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C22 C23 1.339(10) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Cu4 C37 1.900(5) . ?
Cu4 C25 1.914(5) . ?
Cu4 Cu6 2.6088(9) . ?
Cu4 Cu5 2.7455(9) . ?
Cu5 C29 1.911(5) . ?
Cu5 C41 1.915(5) . ?
Cu5 Cu6 2.7404(9) . ?
Cu6 C45 1.916(5) . ?
Cu6 C33 1.916(5) . ?
N13 C25 1.353(7) . ?
N13 C26 1.387(7) . ?
N13 B3 1.546(7) . ?
N14 C25 1.362(7) . ?
N14 C27 1.381(8) . ?
N14 C28 1.460(8) . ?
N15 C29 1.363(6) . ?
N15 C30 1.383(7) . ?
N15 B3 1.549(8) . ?
N16 C29 1.359(6) . ?
N16 C31 1.366(7) . ?
N16 C32 1.455(7) . ?
N17 C33 1.358(7) . ?
N17 C34 1.391(6) . ?
N17 B3 1.551(8) . ?
N18 C33 1.359(7) . ?
N18 C35 1.378(8) . ?
N18 C36 1.461(8) . ?
N19 C37 1.359(6) . ?
N19 C38 1.381(7) . ?
N19 B4 1.558(7) . ?
N20 C37 1.360(7) . ?
N20 C39 1.396(7) . ?
N20 C40 1.451(7) . ?
N21 C41 1.364(6) . ?
N21 C42 1.374(7) . ?
N21 B4 1.553(7) . ?
N22 C41 1.362(7) . ?
N22 C43 1.375(7) . ?
N22 C44 1.468(7) . ?
N23 C45 1.357(7) . ?
N23 C46 1.392(6) . ?
N23 B4 1.536(7) . ?
N24 C45 1.368(8) . ?
N24 C47 1.378(8) . ?
N24 C48 1.456(8) . ?
B3 H3A 1.0000 . ?
B4 H4 1.0000 . ?
C26 C27 1.345(9) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C30 C31 1.359(8) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 C35 1.329(9) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C38 C39 1.349(9) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C42 C43 1.348(9) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C46 C47 1.343(9) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
P1 F6 1.525(6) . ?
P1 F4 1.563(6) . ?
P1 F3 1.565(6) . ?
P1 F5 1.587(5) . ?
P1 F1 1.588(5) . ?
P1 F2 1.588(4) . ?
P2 F11 1.401(9) . ?
P2 F10 1.470(7) . ?
P2 F8 1.493(7) . ?
P2 F12 1.511(9) . ?
P2 F9 1.539(8) . ?
P2 F7 1.583(8) . ?

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
C13 Cu1 C1 171.1(2) . . ?
C13 Cu1 Cu3 110.66(15) . . ?
C1 Cu1 Cu3 77.68(16) . . ?
C13 Cu1 Cu2 77.32(16) . . ?
C1 Cu1 Cu2 110.25(18) . . ?
Cu3 Cu1 Cu2 60.82(2) . . ?
C5 Cu2 C17 168.0(3) . . ?
C5 Cu2 Cu3 112.05(18) . . ?
C17 Cu2 Cu3 79.52(16) . . ?
C5 Cu2 Cu1 78.92(19) . . ?
C17 Cu2 Cu1 111.16(18) . . ?
Cu3 Cu2 Cu1 58.03(2) . . ?
C9 Cu3 C21 170.2(2) . . ?
C9 Cu3 Cu1 111.16(17) . . ?
C21 Cu3 Cu1 78.61(14) . . ?
C9 Cu3 Cu2 75.37(15) . . ?
C21 Cu3 Cu2 111.35(15) . . ?
Cu1 Cu3 Cu2 61.15(3) . . ?
C1 N1 C2 109.9(6) . . ?
C1 N1 B1 128.8(5) . . ?
C2 N1 B1 121.3(5) . . ?
C1 N2 C3 110.3(6) . . ?
C1 N2 C4 126.2(5) . . ?
C3 N2 C4 123.4(6) . . ?
C5 N3 C6 110.1(5) . . ?
C5 N3 B1 127.7(5) . . ?
C6 N3 B1 122.2(6) . . ?
C5 N4 C7 111.2(6) . . ?
C5 N4 C8 123.7(6) . . ?
C7 N4 C8 124.9(6) . . ?
C9 N5 C10 107.5(6) . . ?
C9 N5 B1 129.4(5) . . ?
C10 N5 B1 123.0(6) . . ?
C11 N6 C9 110.5(6) . . ?
C11 N6 C12 125.6(6) . . ?
C9 N6 C12 123.9(5) . . ?
C13 N7 C14 109.4(5) . . ?
C13 N7 B2 128.9(4) . . ?
C14 N7 B2 121.6(5) . . ?
C13 N8 C15 110.8(5) . . ?
C13 N8 C16 124.5(5) . . ?
C15 N8 C16 124.7(5) . . ?
C17 N9 C18 109.4(5) . . ?
C17 N9 B2 127.6(4) . . ?
C18 N9 B2 123.0(5) . . ?
C17 N10 C19 110.8(6) . . ?
C17 N10 C20 125.1(6) . . ?
C19 N10 C20 124.1(6) . . ?
C21 N11 C22 109.1(5) . . ?
C21 N11 B2 128.6(4) . . ?
C22 N11 B2 122.3(5) . . ?
C21 N12 C23 111.1(5) . . ?
C21 N12 C24 124.2(5) . . ?
C23 N12 C24 124.7(5) . . ?
N1 B1 N5 111.6(5) . . ?
N1 B1 N3 111.7(6) . . ?
N5 B1 N3 110.3(6) . . ?
N1 B1 H1 107.6 . . ?
N5 B1 H1 107.6 . . ?
N3 B1 H1 107.7 . . ?
N11 B2 N7 111.3(5) . . ?
N11 B2 N9 112.8(4) . . ?
N7 B2 N9 111.0(5) . . ?
N11 B2 H2 107.2 . . ?
N7 B2 H2 107.1 . . ?
N9 B2 H2 107.1 . . ?
N1 C1 N2 105.6(5) . . ?
N1 C1 Cu1 129.8(4) . . ?
N2 C1 Cu1 124.5(4) . . ?
C3 C2 N1 106.7(6) . . ?
C3 C2 H2A 126.7 . . ?
N1 C2 H2A 126.6 . . ?
C2 C3 N2 107.5(6) . . ?
C2 C3 H3 126.3 . . ?
N2 C3 H3 126.2 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 N4 104.6(5) . . ?
N3 C5 Cu2 129.8(4) . . ?
N4 C5 Cu2 125.4(5) . . ?
C7 C6 N3 107.8(6) . . ?
C7 C6 H6 126.1 . . ?
N3 C6 H6 126.1 . . ?
C6 C7 N4 106.3(6) . . ?
C6 C7 H7 126.8 . . ?
N4 C7 H7 126.9 . . ?
N4 C8 H8A 109.4 . . ?
N4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N4 C8 H8C 109.4 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N5 C9 N6 105.4(5) . . ?
N5 C9 Cu3 129.5(4) . . ?
N6 C9 Cu3 124.8(4) . . ?
C11 C10 N5 109.3(6) . . ?
C11 C10 H10 125.3 . . ?
N5 C10 H10 125.4 . . ?
C10 C11 N6 107.2(6) . . ?
C10 C11 H11 126.4 . . ?
N6 C11 H11 126.4 . . ?
N6 C12 H12A 109.4 . . ?
N6 C12 H12B 109.4 . . ?
H12A C12 H12B 109.5 . . ?
N6 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N8 C13 N7 105.2(4) . . ?
N8 C13 Cu1 123.7(4) . . ?
N7 C13 Cu1 131.1(4) . . ?
C15 C14 N7 108.3(5) . . ?
C15 C14 H14 125.9 . . ?
N7 C14 H14 125.9 . . ?
C14 C15 N8 106.4(5) . . ?
C14 C15 H15 126.8 . . ?
N8 C15 H15 126.8 . . ?
N8 C16 H16A 109.5 . . ?
N8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N9 C17 N10 105.2(5) . . ?
N9 C17 Cu2 131.9(4) . . ?
N10 C17 Cu2 122.9(5) . . ?
C19 C18 N9 108.6(6) . . ?
C19 C18 H18 125.7 . . ?
N9 C18 H18 125.7 . . ?
C18 C19 N10 106.0(5) . . ?
C18 C19 H19 127.0 . . ?
N10 C19 H19 127.0 . . ?
N10 C20 H20A 109.5 . . ?
N10 C20 H20B 109.4 . . ?
H20A C20 H20B 109.5 . . ?
N10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N11 C21 N12 105.3(4) . . ?
N11 C21 Cu3 130.3(4) . . ?
N12 C21 Cu3 124.3(4) . . ?
C23 C22 N11 108.0(5) . . ?
C23 C22 H22 126.0 . . ?
N11 C22 H22 126.0 . . ?
C22 C23 N12 106.5(5) . . ?
C22 C23 H23 126.8 . . ?
N12 C23 H23 126.8 . . ?
N12 C24 H24A 109.5 . . ?
N12 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N12 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C37 Cu4 C25 171.7(2) . . ?
C37 Cu4 Cu6 108.52(15) . . ?
C25 Cu4 Cu6 79.77(17) . . ?
C37 Cu4 Cu5 73.95(14) . . ?
C25 Cu4 Cu5 111.44(16) . . ?
Cu6 Cu4 Cu5 61.51(2) . . ?
C29 Cu5 C41 170.4(2) . . ?
C29 Cu5 Cu6 110.42(15) . . ?
C41 Cu5 Cu6 77.46(16) . . ?
C29 Cu5 Cu4 78.21(14) . . ?
C41 Cu5 Cu4 111.13(15) . . ?
Cu6 Cu5 Cu4 56.79(2) . . ?
C45 Cu6 C33 171.5(2) . . ?
C45 Cu6 Cu4 77.67(17) . . ?
C33 Cu6 Cu4 110.49(16) . . ?
C45 Cu6 Cu5 111.57(17) . . ?
C33 Cu6 Cu5 75.29(16) . . ?
Cu4 Cu6 Cu5 61.70(2) . . ?
C25 N13 C26 109.3(5) . . ?
C25 N13 B3 128.6(4) . . ?
C26 N13 B3 122.1(5) . . ?
C25 N14 C27 110.5(5) . . ?
C25 N14 C28 124.5(5) . . ?
C27 N14 C28 124.6(5) . . ?
C29 N15 C30 109.9(4) . . ?
C29 N15 B3 129.5(4) . . ?
C30 N15 B3 120.5(4) . . ?
C29 N16 C31 111.7(4) . . ?
C29 N16 C32 124.5(5) . . ?
C31 N16 C32 123.7(5) . . ?
C33 N17 C34 108.8(5) . . ?
C33 N17 B3 129.3(4) . . ?
C34 N17 B3 121.9(5) . . ?
C33 N18 C35 110.5(5) . . ?
C33 N18 C36 124.4(5) . . ?
C35 N18 C36 124.9(5) . . ?
C37 N19 C38 110.4(5) . . ?
C37 N19 B4 128.1(4) . . ?
C38 N19 B4 121.5(4) . . ?
C37 N20 C39 110.7(5) . . ?
C37 N20 C40 125.0(5) . . ?
C39 N20 C40 124.3(5) . . ?
C41 N21 C42 109.6(5) . . ?
C41 N21 B4 128.0(4) . . ?
C42 N21 B4 122.3(5) . . ?
C41 N22 C43 111.3(5) . . ?
C41 N22 C44 124.1(5) . . ?
C43 N22 C44 124.5(5) . . ?
C45 N23 C46 109.0(5) . . ?
C45 N23 B4 128.2(4) . . ?
C46 N23 B4 122.5(4) . . ?
C45 N24 C47 110.7(5) . . ?
C45 N24 C48 124.5(5) . . ?
C47 N24 C48 124.8(6) . . ?
N13 B3 N15 111.6(4) . . ?
N13 B3 N17 111.1(5) . . ?
N15 B3 N17 111.0(4) . . ?
N13 B3 H3A 107.6 . . ?
N15 B3 H3A 107.6 . . ?
N17 B3 H3A 107.6 . . ?
N23 B4 N21 111.6(4) . . ?
N23 B4 N19 110.6(4) . . ?
N21 B4 N19 110.4(4) . . ?
N23 B4 H4 108.0 . . ?
N21 B4 H4 108.1 . . ?
N19 B4 H4 108.0 . . ?
N13 C25 N14 105.7(4) . . ?
N13 C25 Cu4 130.6(4) . . ?
N14 C25 Cu4 123.6(4) . . ?
C27 C26 N13 108.2(5) . . ?
C27 C26 H26 125.9 . . ?
N13 C26 H26 125.9 . . ?
C26 C27 N14 106.2(5) . . ?
C26 C27 H27 126.9 . . ?
N14 C27 H27 126.9 . . ?
N14 C28 H28A 109.5 . . ?
N14 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N14 C28 H28C 109.4 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N16 C29 N15 104.7(4) . . ?
N16 C29 Cu5 125.2(4) . . ?
N15 C29 Cu5 130.1(4) . . ?
C31 C30 N15 107.5(5) . . ?
C31 C30 H30 126.3 . . ?
N15 C30 H30 126.2 . . ?
C30 C31 N16 106.2(5) . . ?
C30 C31 H31 126.9 . . ?
N16 C31 H31 126.9 . . ?
N16 C32 H32A 109.5 . . ?
N16 C32 H32B 109.4 . . ?
H32A C32 H32B 109.5 . . ?
N16 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N17 C33 N18 105.6(4) . . ?
N17 C33 Cu6 130.8(4) . . ?
N18 C33 Cu6 123.6(4) . . ?
C35 C34 N17 108.4(5) . . ?
C35 C34 H34 125.8 . . ?
N17 C34 H34 125.8 . . ?
C34 C35 N18 106.7(5) . . ?
C34 C35 H35 126.7 . . ?
N18 C35 H35 126.7 . . ?
N18 C36 H36A 109.5 . . ?
N18 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N18 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N19 C37 N20 105.0(4) . . ?
N19 C37 Cu4 132.5(4) . . ?
N20 C37 Cu4 122.1(4) . . ?
C39 C38 N19 107.8(5) . . ?
C39 C38 H38 126.1 . . ?
N19 C38 H38 126.1 . . ?
C38 C39 N20 106.0(5) . . ?
C38 C39 H39 127.0 . . ?
N20 C39 H39 127.0 . . ?
N20 C40 H40A 109.5 . . ?
N20 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
N20 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N22 C41 N21 104.8(4) . . ?
N22 C41 Cu5 124.7(4) . . ?
N21 C41 Cu5 129.9(4) . . ?
C43 C42 N21 108.5(5) . . ?
C43 C42 H42 125.7 . . ?
N21 C42 H42 125.8 . . ?
C42 C43 N22 105.8(5) . . ?
C42 C43 H43 127.1 . . ?
N22 C43 H43 127.1 . . ?
N22 C44 H44A 109.4 . . ?
N22 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
N22 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N23 C45 N24 105.5(5) . . ?
N23 C45 Cu6 128.8(4) . . ?
N24 C45 Cu6 125.6(4) . . ?
C47 C46 N23 108.5(5) . . ?
C47 C46 H46 125.8 . . ?
N23 C46 H46 125.7 . . ?
C46 C47 N24 106.3(5) . . ?
C46 C47 H47 126.8 . . ?
N24 C47 H47 126.9 . . ?
N24 C48 H48A 109.5 . . ?
N24 C48 H48B 109.4 . . ?
H48A C48 H48B 109.5 . . ?
N24 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
F6 P1 F4 89.7(6) . . ?
F6 P1 F3 95.4(6) . . ?
F4 P1 F3 174.7(5) . . ?
F6 P1 F5 178.8(6) . . ?
F4 P1 F5 89.0(5) . . ?
F3 P1 F5 85.8(4) . . ?
F6 P1 F1 92.3(3) . . ?
F4 P1 F1 90.0(4) . . ?
F3 P1 F1 91.1(3) . . ?
F5 P1 F1 88.0(3) . . ?
F6 P1 F2 90.7(4) . . ?
F4 P1 F2 89.3(4) . . ?
F3 P1 F2 89.3(3) . . ?
F5 P1 F2 89.1(3) . . ?
F1 P1 F2 177.0(3) . . ?
F11 P2 F10 97.2(11) . . ?
F11 P2 F8 91.1(10) . . ?
F10 P2 F8 93.4(6) . . ?
F11 P2 F12 160.3(13) . . ?
F10 P2 F12 95.4(9) . . ?
F8 P2 F12 103.2(9) . . ?
F11 P2 F9 86.2(10) . . ?
F10 P2 F9 176.4(10) . . ?
F8 P2 F9 85.2(7) . . ?
F12 P2 F9 81.7(8) . . ?
F11 P2 F7 87.8(10) . . ?
F10 P2 F7 86.6(6) . . ?
F8 P2 F7 178.9(8) . . ?
F12 P2 F7 77.9(8) . . ?
F9 P2 F7 95.0(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
C13 Cu1 Cu2 C5 112.4(2) . . . . ?
C1 Cu1 Cu2 C5 -62.8(2) . . . . ?
Cu3 Cu1 Cu2 C5 -124.98(18) . . . . ?
C13 Cu1 Cu2 C17 -60.8(2) . . . . ?
C1 Cu1 Cu2 C17 124.1(2) . . . . ?
Cu3 Cu1 Cu2 C17 61.86(16) . . . . ?
C13 Cu1 Cu2 Cu3 -122.67(16) . . . . ?
C1 Cu1 Cu2 Cu3 62.20(17) . . . . ?
C13 Cu1 Cu3 C9 119.9(2) . . . . ?
C1 Cu1 Cu3 C9 -63.3(3) . . . . ?
Cu2 Cu1 Cu3 C9 58.50(18) . . . . ?
C13 Cu1 Cu3 C21 -61.0(2) . . . . ?
C1 Cu1 Cu3 C21 115.8(2) . . . . ?
Cu2 Cu1 Cu3 C21 -122.34(16) . . . . ?
C13 Cu1 Cu3 Cu2 61.37(17) . . . . ?
C1 Cu1 Cu3 Cu2 -121.84(18) . . . . ?
C5 Cu2 Cu3 C9 -64.6(3) . . . . ?
C17 Cu2 Cu3 C9 112.0(3) . . . . ?
Cu1 Cu2 Cu3 C9 -124.74(19) . . . . ?
C5 Cu2 Cu3 C21 123.0(3) . . . . ?
C17 Cu2 Cu3 C21 -60.5(2) . . . . ?
Cu1 Cu2 Cu3 C21 62.78(16) . . . . ?
C5 Cu2 Cu3 Cu1 60.2(2) . . . . ?
C17 Cu2 Cu3 Cu1 -123.25(17) . . . . ?
C1 N1 B1 N5 -81.3(7) . . . . ?
C2 N1 B1 N5 96.3(6) . . . . ?
C1 N1 B1 N3 42.8(8) . . . . ?
C2 N1 B1 N3 -139.7(6) . . . . ?
C9 N5 B1 N1 37.4(8) . . . . ?
C10 N5 B1 N1 -145.1(6) . . . . ?
C9 N5 B1 N3 -87.5(7) . . . . ?
C10 N5 B1 N3 90.0(7) . . . . ?
C5 N3 B1 N1 -87.8(8) . . . . ?
C6 N3 B1 N1 90.8(7) . . . . ?
C5 N3 B1 N5 37.0(9) . . . . ?
C6 N3 B1 N5 -144.4(7) . . . . ?
C21 N11 B2 N7 -80.0(7) . . . . ?
C22 N11 B2 N7 96.7(6) . . . . ?
C21 N11 B2 N9 45.5(7) . . . . ?
C22 N11 B2 N9 -137.8(5) . . . . ?
C13 N7 B2 N11 41.4(8) . . . . ?
C14 N7 B2 N11 -141.1(6) . . . . ?
C13 N7 B2 N9 -85.1(7) . . . . ?
C14 N7 B2 N9 92.4(6) . . . . ?
C17 N9 B2 N11 -84.6(6) . . . . ?
C18 N9 B2 N11 99.0(6) . . . . ?
C17 N9 B2 N7 41.1(7) . . . . ?
C18 N9 B2 N7 -135.3(5) . . . . ?
C2 N1 C1 N2 -0.6(6) . . . . ?
B1 N1 C1 N2 177.1(6) . . . . ?
C2 N1 C1 Cu1 -178.6(4) . . . . ?
B1 N1 C1 Cu1 -0.8(9) . . . . ?
C3 N2 C1 N1 0.2(6) . . . . ?
C4 N2 C1 N1 176.5(5) . . . . ?
C3 N2 C1 Cu1 178.3(4) . . . . ?
C4 N2 C1 Cu1 -5.4(8) . . . . ?
Cu3 Cu1 C1 N1 72.7(5) . . . . ?
Cu2 Cu1 C1 N1 20.5(5) . . . . ?
Cu3 Cu1 C1 N2 -104.9(5) . . . . ?
Cu2 Cu1 C1 N2 -157.2(4) . . . . ?
C1 N1 C2 C3 0.8(7) . . . . ?
B1 N1 C2 C3 -177.2(6) . . . . ?
N1 C2 C3 N2 -0.6(7) . . . . ?
C1 N2 C3 C2 0.2(7) . . . . ?
C4 N2 C3 C2 -176.1(6) . . . . ?
C6 N3 C5 N4 1.2(8) . . . . ?
B1 N3 C5 N4 179.9(6) . . . . ?
C6 N3 C5 Cu2 -174.2(6) . . . . ?
B1 N3 C5 Cu2 4.5(10) . . . . ?
C7 N4 C5 N3 -0.4(8) . . . . ?
C8 N4 C5 N3 174.2(7) . . . . ?
C7 N4 C5 Cu2 175.2(6) . . . . ?
C8 N4 C5 Cu2 -10.2(10) . . . . ?
C17 Cu2 C5 N3 -144.3(10) . . . . ?
Cu3 Cu2 C5 N3 19.4(7) . . . . ?
Cu1 Cu2 C5 N3 68.0(6) . . . . ?
C17 Cu2 C5 N4 41.2(15) . . . . ?
Cu3 Cu2 C5 N4 -155.2(5) . . . . ?
Cu1 Cu2 C5 N4 -106.6(6) . . . . ?
C5 N3 C6 C7 -1.5(10) . . . . ?
B1 N3 C6 C7 179.6(7) . . . . ?
N3 C6 C7 N4 1.2(10) . . . . ?
C5 N4 C7 C6 -0.5(10) . . . . ?
C8 N4 C7 C6 -175.0(8) . . . . ?
C10 N5 C9 N6 0.5(6) . . . . ?
B1 N5 C9 N6 178.3(5) . . . . ?
C10 N5 C9 Cu3 -173.5(5) . . . . ?
B1 N5 C9 Cu3 4.3(9) . . . . ?
C11 N6 C9 N5 -0.8(6) . . . . ?
C12 N6 C9 N5 177.9(5) . . . . ?
C11 N6 C9 Cu3 173.5(4) . . . . ?
C12 N6 C9 Cu3 -7.8(8) . . . . ?
Cu1 Cu3 C9 N5 19.2(5) . . . . ?
Cu2 Cu3 C9 N5 69.8(5) . . . . ?
Cu1 Cu3 C9 N6 -153.6(4) . . . . ?
Cu2 Cu3 C9 N6 -103.1(5) . . . . ?
C9 N5 C10 C11 0.0(8) . . . . ?
B1 N5 C10 C11 -177.9(6) . . . . ?
N5 C10 C11 N6 -0.5(8) . . . . ?
C9 N6 C11 C10 0.8(8) . . . . ?
C12 N6 C11 C10 -177.9(6) . . . . ?
C15 N8 C13 N7 0.2(7) . . . . ?
C16 N8 C13 N7 178.1(6) . . . . ?
C15 N8 C13 Cu1 177.3(5) . . . . ?
C16 N8 C13 Cu1 -4.8(8) . . . . ?
C14 N7 C13 N8 0.0(7) . . . . ?
B2 N7 C13 N8 177.8(6) . . . . ?
C14 N7 C13 Cu1 -176.8(5) . . . . ?
B2 N7 C13 Cu1 0.9(9) . . . . ?
Cu3 Cu1 C13 N8 -157.9(4) . . . . ?
Cu2 Cu1 C13 N8 -106.1(5) . . . . ?
Cu3 Cu1 C13 N7 18.4(6) . . . . ?
Cu2 Cu1 C13 N7 70.2(5) . . . . ?
C13 N7 C14 C15 -0.3(8) . . . . ?
B2 N7 C14 C15 -178.2(6) . . . . ?
N7 C14 C15 N8 0.4(8) . . . . ?
C13 N8 C15 C14 -0.4(8) . . . . ?
C16 N8 C15 C14 -178.3(7) . . . . ?
C18 N9 C17 N10 -1.5(6) . . . . ?
B2 N9 C17 N10 -178.2(5) . . . . ?
C18 N9 C17 Cu2 177.9(4) . . . . ?
B2 N9 C17 Cu2 1.1(8) . . . . ?
C19 N10 C17 N9 1.5(6) . . . . ?
C20 N10 C17 N9 178.3(6) . . . . ?
C19 N10 C17 Cu2 -177.9(4) . . . . ?
C20 N10 C17 Cu2 -1.2(8) . . . . ?
C5 Cu2 C17 N9 -127.4(11) . . . . ?
Cu3 Cu2 C17 N9 68.0(5) . . . . ?
Cu1 Cu2 C17 N9 18.5(5) . . . . ?
C5 Cu2 C17 N10 51.9(14) . . . . ?
Cu3 Cu2 C17 N10 -112.7(4) . . . . ?
Cu1 Cu2 C17 N10 -162.2(4) . . . . ?
C17 N9 C18 C19 1.0(6) . . . . ?
B2 N9 C18 C19 177.9(5) . . . . ?
N9 C18 C19 N10 0.0(7) . . . . ?
C17 N10 C19 C18 -1.0(7) . . . . ?
C20 N10 C19 C18 -177.7(6) . . . . ?
C22 N11 C21 N12 -0.2(6) . . . . ?
B2 N11 C21 N12 176.9(5) . . . . ?
C22 N11 C21 Cu3 178.4(4) . . . . ?
B2 N11 C21 Cu3 -4.5(8) . . . . ?
C23 N12 C21 N11 0.5(6) . . . . ?
C24 N12 C21 N11 178.3(5) . . . . ?
C23 N12 C21 Cu3 -178.2(4) . . . . ?
C24 N12 C21 Cu3 -0.4(7) . . . . ?
Cu1 Cu3 C21 N11 74.3(5) . . . . ?
Cu2 Cu3 C21 N11 21.7(5) . . . . ?
Cu1 Cu3 C21 N12 -107.3(4) . . . . ?
Cu2 Cu3 C21 N12 -159.9(4) . . . . ?
C21 N11 C22 C23 -0.2(7) . . . . ?
B2 N11 C22 C23 -177.5(5) . . . . ?
N11 C22 C23 N12 0.6(7) . . . . ?
C21 N12 C23 C22 -0.7(7) . . . . ?
C24 N12 C23 C22 -178.4(5) . . . . ?
C37 Cu4 Cu5 C29 113.6(2) . . . . ?
C25 Cu4 Cu5 C29 -59.7(2) . . . . ?
Cu6 Cu4 Cu5 C29 -124.23(15) . . . . ?
C37 Cu4 Cu5 C41 -64.2(2) . . . . ?
C25 Cu4 Cu5 C41 122.4(3) . . . . ?
Cu6 Cu4 Cu5 C41 57.92(18) . . . . ?
C37 Cu4 Cu5 Cu6 -122.16(16) . . . . ?
C25 Cu4 Cu5 Cu6 64.52(19) . . . . ?
C37 Cu4 Cu6 C45 -63.9(2) . . . . ?
C25 Cu4 Cu6 C45 115.6(2) . . . . ?
Cu5 Cu4 Cu6 C45 -123.03(18) . . . . ?
C37 Cu4 Cu6 C33 118.5(2) . . . . ?
C25 Cu4 Cu6 C33 -62.0(2) . . . . ?
Cu5 Cu4 Cu6 C33 59.40(17) . . . . ?
C37 Cu4 Cu6 Cu5 59.10(15) . . . . ?
C25 Cu4 Cu6 Cu5 -121.37(16) . . . . ?
C29 Cu5 Cu6 C45 121.5(2) . . . . ?
C41 Cu5 Cu6 C45 -64.2(2) . . . . ?
Cu4 Cu5 Cu6 C45 61.73(19) . . . . ?
C29 Cu5 Cu6 C33 -63.8(2) . . . . ?
C41 Cu5 Cu6 C33 110.5(2) . . . . ?
Cu4 Cu5 Cu6 C33 -123.53(17) . . . . ?
C29 Cu5 Cu6 Cu4 59.72(15) . . . . ?
C41 Cu5 Cu6 Cu4 -125.94(16) . . . . ?
C25 N13 B3 N15 42.3(8) . . . . ?
C26 N13 B3 N15 -139.5(6) . . . . ?
C25 N13 B3 N17 -82.2(7) . . . . ?
C26 N13 B3 N17 96.0(7) . . . . ?
C29 N15 B3 N13 -85.8(6) . . . . ?
C30 N15 B3 N13 92.8(6) . . . . ?
C29 N15 B3 N17 38.8(7) . . . . ?
C30 N15 B3 N17 -142.6(5) . . . . ?
C33 N17 B3 N13 42.8(7) . . . . ?
C34 N17 B3 N13 -140.3(5) . . . . ?
C33 N17 B3 N15 -82.1(6) . . . . ?
C34 N17 B3 N15 94.8(6) . . . . ?
C45 N23 B4 N21 42.6(7) . . . . ?
C46 N23 B4 N21 -144.3(5) . . . . ?
C45 N23 B4 N19 -80.8(6) . . . . ?
C46 N23 B4 N19 92.4(5) . . . . ?
C41 N21 B4 N23 -91.6(6) . . . . ?
C42 N21 B4 N23 88.8(6) . . . . ?
C41 N21 B4 N19 31.8(7) . . . . ?
C42 N21 B4 N19 -147.7(5) . . . . ?
C37 N19 B4 N23 37.1(7) . . . . ?
C38 N19 B4 N23 -145.4(5) . . . . ?
C37 N19 B4 N21 -86.9(6) . . . . ?
C38 N19 B4 N21 90.6(6) . . . . ?
C26 N13 C25 N14 -0.4(7) . . . . ?
B3 N13 C25 N14 178.0(5) . . . . ?
C26 N13 C25 Cu4 -177.3(5) . . . . ?
B3 N13 C25 Cu4 1.1(9) . . . . ?
C27 N14 C25 N13 1.9(7) . . . . ?
C28 N14 C25 N13 174.8(6) . . . . ?
C27 N14 C25 Cu4 179.1(5) . . . . ?
C28 N14 C25 Cu4 -8.0(9) . . . . ?
Cu6 Cu4 C25 N13 70.4(5) . . . . ?
Cu5 Cu4 C25 N13 16.7(6) . . . . ?
Cu6 Cu4 C25 N14 -106.0(5) . . . . ?
Cu5 Cu4 C25 N14 -159.7(5) . . . . ?
C25 N13 C26 C27 -1.3(8) . . . . ?
B3 N13 C26 C27 -179.8(6) . . . . ?
N13 C26 C27 N14 2.3(9) . . . . ?
C25 N14 C27 C26 -2.7(9) . . . . ?
C28 N14 C27 C26 -175.6(7) . . . . ?
C31 N16 C29 N15 0.6(6) . . . . ?
C32 N16 C29 N15 177.0(5) . . . . ?
C31 N16 C29 Cu5 178.4(4) . . . . ?
C32 N16 C29 Cu5 -5.2(7) . . . . ?
C30 N15 C29 N16 -0.4(5) . . . . ?
B3 N15 C29 N16 178.3(5) . . . . ?
C30 N15 C29 Cu5 -178.0(4) . . . . ?
B3 N15 C29 Cu5 0.7(8) . . . . ?
Cu6 Cu5 C29 N16 -155.7(4) . . . . ?
Cu4 Cu5 C29 N16 -108.1(4) . . . . ?
Cu6 Cu5 C29 N15 21.5(5) . . . . ?
Cu4 Cu5 C29 N15 69.1(4) . . . . ?
C29 N15 C30 C31 0.1(6) . . . . ?
B3 N15 C30 C31 -178.7(5) . . . . ?
N15 C30 C31 N16 0.3(6) . . . . ?
C29 N16 C31 C30 -0.6(6) . . . . ?
C32 N16 C31 C30 -177.0(5) . . . . ?
C34 N17 C33 N18 -0.9(6) . . . . ?
B3 N17 C33 N18 176.3(5) . . . . ?
C34 N17 C33 Cu6 179.8(4) . . . . ?
B3 N17 C33 Cu6 -3.0(8) . . . . ?
C35 N18 C33 N17 1.0(6) . . . . ?
C36 N18 C33 N17 176.5(6) . . . . ?
C35 N18 C33 Cu6 -179.6(4) . . . . ?
C36 N18 C33 Cu6 -4.1(9) . . . . ?
Cu4 Cu6 C33 N17 22.4(6) . . . . ?
Cu5 Cu6 C33 N17 74.0(5) . . . . ?
Cu4 Cu6 C33 N18 -156.8(4) . . . . ?
Cu5 Cu6 C33 N18 -105.2(5) . . . . ?
C33 N17 C34 C35 0.5(7) . . . . ?
B3 N17 C34 C35 -177.0(5) . . . . ?
N17 C34 C35 N18 0.2(7) . . . . ?
C33 N18 C35 C34 -0.7(7) . . . . ?
C36 N18 C35 C34 -176.2(7) . . . . ?
C38 N19 C37 N20 1.5(5) . . . . ?
B4 N19 C37 N20 179.2(4) . . . . ?
C38 N19 C37 Cu4 -172.0(4) . . . . ?
B4 N19 C37 Cu4 5.7(8) . . . . ?
C39 N20 C37 N19 -1.0(6) . . . . ?
C40 N20 C37 N19 176.8(5) . . . . ?
C39 N20 C37 Cu4 173.4(4) . . . . ?
C40 N20 C37 Cu4 -8.8(7) . . . . ?
Cu6 Cu4 C37 N19 18.3(5) . . . . ?
Cu5 Cu4 C37 N19 70.0(4) . . . . ?
Cu6 Cu4 C37 N20 -154.3(4) . . . . ?
Cu5 Cu4 C37 N20 -102.6(4) . . . . ?
C37 N19 C38 C39 -1.5(6) . . . . ?
B4 N19 C38 C39 -179.4(5) . . . . ?
N19 C38 C39 N20 0.8(6) . . . . ?
C37 N20 C39 C38 0.1(6) . . . . ?
C40 N20 C39 C38 -177.7(5) . . . . ?
C43 N22 C41 N21 -0.5(7) . . . . ?
C44 N22 C41 N21 175.3(6) . . . . ?
C43 N22 C41 Cu5 171.5(5) . . . . ?
C44 N22 C41 Cu5 -12.7(8) . . . . ?
C42 N21 C41 N22 0.4(6) . . . . ?
B4 N21 C41 N22 -179.2(5) . . . . ?
C42 N21 C41 Cu5 -171.1(5) . . . . ?
B4 N21 C41 Cu5 9.3(9) . . . . ?
Cu6 Cu5 C41 N22 -105.2(5) . . . . ?
Cu4 Cu5 C41 N22 -151.8(4) . . . . ?
Cu6 Cu5 C41 N21 64.7(5) . . . . ?
Cu4 Cu5 C41 N21 18.1(6) . . . . ?
C41 N21 C42 C43 -0.1(8) . . . . ?
B4 N21 C42 C43 179.5(6) . . . . ?
N21 C42 C43 N22 -0.2(8) . . . . ?
C41 N22 C43 C42 0.5(8) . . . . ?
C44 N22 C43 C42 -175.3(6) . . . . ?
C46 N23 C45 N24 1.3(6) . . . . ?
B4 N23 C45 N24 175.2(5) . . . . ?
C46 N23 C45 Cu6 -175.9(4) . . . . ?
B4 N23 C45 Cu6 -2.0(8) . . . . ?
C47 N24 C45 N23 -1.0(7) . . . . ?
C48 N24 C45 N23 176.9(7) . . . . ?
C47 N24 C45 Cu6 176.2(5) . . . . ?
C48 N24 C45 Cu6 -5.8(10) . . . . ?
Cu4 Cu6 C45 N23 75.5(5) . . . . ?
Cu5 Cu6 C45 N23 23.0(6) . . . . ?
Cu4 Cu6 C45 N24 -101.1(5) . . . . ?
Cu5 Cu6 C45 N24 -153.7(5) . . . . ?
C45 N23 C46 C47 -1.0(7) . . . . ?
B4 N23 C46 C47 -175.4(5) . . . . ?
N23 C46 C47 N24 0.4(7) . . . . ?
C45 N24 C47 C46 0.4(8) . . . . ?
C48 N24 C47 C46 -177.5(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        30.42
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         1.447
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.201