#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:49:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179865 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/61/7016176.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_7016176
loop_
_publ_author_name
'Oztopcu, Ozgür'
'Mereiter, Kurt'
'Puchberger, Michael'
'Kirchner, Karl A.'
_publ_section_title
;
 Tri- and tetracoordinate copper(i) complexes bearing bidentate
 soft/hard SN and SeN ligands based on 2-aminopyridine.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7008
_journal_page_last               7021
_journal_paper_doi               10.1039/c1dt10377f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C26 H44 Cu2 N6 P2 S2, 2(F6 Sb)'
_chemical_formula_sum            'C26 H44 Cu2 F12 N6 P2 S2 Sb2'
_chemical_formula_weight         1165.31
_chemical_name_common            '1477 (Cu2(SPN-iPr)2(CH3CN)2)(SbF6)2 at 100K'
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 126.3100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.901(3)
_cell_length_b                   12.6741(17)
_cell_length_c                   16.782(2)
_cell_measurement_reflns_used    9426
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.07
_cell_measurement_theta_min      2.77
_cell_volume                     4267.9(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Kappa APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0144
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            38535
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.77
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.488
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'program SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.794
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       0.00010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         6224
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0247P)²+6.1614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0520
_refine_ls_wR_factor_ref         0.0538
_reflns_number_gt                5816
_reflns_number_total             6224
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10377f.txt
_cod_data_source_block           11b-1477
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4267.9(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7016176
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Cu1 Cu 0.499383(9) 0.602924(14) 0.528144(13) 0.02169(5) Uani 1 1 d . . .
S1 S 0.442342(17) 0.46515(3) 0.53529(2) 0.01943(7) Uani 1 1 d . . .
P1 P 0.354629(17) 0.52974(3) 0.42874(2) 0.01545(6) Uani 1 1 d . . .
N1 N 0.43465(6) 0.68727(9) 0.39679(8) 0.0188(2) Uani 1 1 d . . .
N2 N 0.34647(6) 0.56616(9) 0.32621(8) 0.0183(2) Uani 1 1 d . . .
H2N H 0.3171 0.5304 0.2723 0.022 Uiso 1 1 calc R . .
N3 N 0.54181(7) 0.71440(11) 0.62918(10) 0.0277(3) Uani 1 1 d . . .
C1 C 0.38026(7) 0.64598(10) 0.31523(9) 0.0177(2) Uani 1 1 d . . .
C2 C 0.35610(8) 0.67912(13) 0.21964(11) 0.0263(3) Uani 1 1 d . . .
H2 H 0.3178 0.6473 0.1630 0.032 Uiso 1 1 calc R . .
C3 C 0.38942(9) 0.75899(14) 0.20998(12) 0.0319(3) Uani 1 1 d . . .
H3 H 0.3747 0.7823 0.1462 0.038 Uiso 1 1 calc R . .
C4 C 0.44467(8) 0.80525(13) 0.29423(12) 0.0279(3) Uani 1 1 d . . .
H4 H 0.4678 0.8613 0.2891 0.033 Uiso 1 1 calc R . .
C5 C 0.46523(7) 0.76803(11) 0.38548(11) 0.0229(3) Uani 1 1 d . . .
H5 H 0.5025 0.8005 0.4430 0.028 Uiso 1 1 calc R . .
C6 C 0.33829(7) 0.64829(11) 0.47325(10) 0.0192(2) Uani 1 1 d . . .
H6 H 0.3638 0.7066 0.4695 0.023 Uiso 1 1 calc R . .
C7 C 0.36363(8) 0.64278(13) 0.58170(11) 0.0267(3) Uani 1 1 d . . .
H7A H 0.3588 0.7121 0.6027 0.040 Uiso 1 1 calc R . .
H7B H 0.4107 0.6222 0.6232 0.040 Uiso 1 1 calc R . .
H7C H 0.3376 0.5905 0.5885 0.040 Uiso 1 1 calc R . .
C8 C 0.26459(7) 0.67991(12) 0.40393(11) 0.0247(3) Uani 1 1 d . . .
H8A H 0.2381 0.6319 0.4136 0.037 Uiso 1 1 calc R . .
H8B H 0.2494 0.6758 0.3352 0.037 Uiso 1 1 calc R . .
H8C H 0.2592 0.7523 0.4188 0.037 Uiso 1 1 calc R . .
C9 C 0.28805(7) 0.43270(11) 0.37992(10) 0.0198(2) Uani 1 1 d . . .
H9 H 0.2451 0.4664 0.3257 0.024 Uiso 1 1 calc R . .
C10 C 0.28201(9) 0.39787(13) 0.46172(12) 0.0275(3) Uani 1 1 d . . .
H10A H 0.2481 0.3426 0.4363 0.041 Uiso 1 1 calc R . .
H10B H 0.2691 0.4584 0.4833 0.041 Uiso 1 1 calc R . .
H10C H 0.3250 0.3704 0.5179 0.041 Uiso 1 1 calc R . .
C11 C 0.30093(8) 0.33711(11) 0.33725(11) 0.0251(3) Uani 1 1 d . . .
H11A H 0.3420 0.3016 0.3902 0.038 Uiso 1 1 calc R . .
H11B H 0.3056 0.3608 0.2861 0.038 Uiso 1 1 calc R . .
H11C H 0.2634 0.2879 0.3083 0.038 Uiso 1 1 calc R . .
C12 C 0.55457(8) 0.79361(14) 0.66845(11) 0.0270(3) Uani 1 1 d . . .
C13 C 0.56924(10) 0.89598(15) 0.71653(14) 0.0370(4) Uani 1 1 d . . .
H13A H 0.6118 0.9221 0.7332 0.055 Uiso 1 1 calc R . .
H13B H 0.5721 0.8889 0.7771 0.055 Uiso 1 1 calc R . .
H13C H 0.5337 0.9459 0.6717 0.055 Uiso 1 1 calc R . .
Sb1 Sb 0.152083(12) 0.498962(19) 0.05339(3) 0.02077(6) Uani 0.8528(16) 1 d P A
1
F1 F 0.24515(6) 0.48141(11) 0.12275(10) 0.0353(3) Uani 0.8528(16) 1 d P A 1
F2 F 0.06107(8) 0.51751(16) -0.01223(16) 0.0708(6) Uani 0.8528(16) 1 d P A 1
F3 F 0.16999(8) 0.57909(10) 0.16058(10) 0.0420(3) Uani 0.8528(16) 1 d P A 1
F4 F 0.13923(10) 0.41830(14) -0.04934(11) 0.0631(5) Uani 0.8528(16) 1 d P A 1
F5 F 0.15139(7) 0.37776(10) 0.11653(12) 0.0409(3) Uani 0.8528(16) 1 d P A 1
F6 F 0.15733(11) 0.62133(14) -0.00392(14) 0.0585(5) Uani 0.8528(16) 1 d P A 1
Sb1' Sb 0.13972(8) 0.51227(8) 0.01848(17) 0.0160(3) Uani 0.1472(16) 1 d PD A 2
F1' F 0.2110(3) 0.4861(5) 0.1512(5) 0.0363(9) Uiso 0.1472(16) 1 d PD A 2
F2' F 0.0688(3) 0.5388(6) -0.1126(4) 0.0363(9) Uiso 0.1472(16) 1 d PD A 2
F3' F 0.0975(3) 0.5935(5) 0.0603(5) 0.0363(9) Uiso 0.1472(16) 1 d PD A 2
F4' F 0.1816(4) 0.4291(5) -0.0212(5) 0.0363(9) Uiso 0.1472(16) 1 d PD A 2
F5' F 0.0964(3) 0.3911(5) 0.0193(5) 0.0363(9) Uiso 0.1472(16) 1 d PD A 2
F6' F 0.1840(4) 0.6313(7) 0.0207(7) 0.0363(9) Uiso 0.1472(16) 1 d PD A 2
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'
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'
S S 0.1246 0.1234 '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'
Sb Sb -0.5866 1.5461 '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
N3 Cu1 N1 103.08(5) . . ?
N3 Cu1 S1 122.28(4) . . ?
N1 Cu1 S1 109.16(4) . . ?
N3 Cu1 S1 118.77(4) . 5_666 ?
N1 Cu1 S1 90.42(3) . 5_666 ?
S1 Cu1 S1 107.655(14) . 5_666 ?
N3 Cu1 Cu1 149.17(4) . 5_666 ?
N1 Cu1 Cu1 106.12(3) . 5_666 ?
S1 Cu1 Cu1 55.701(13) . 5_666 ?
S1 Cu1 Cu1 51.955(11) 5_666 5_666 ?
P1 S1 Cu1 91.366(19) . . ?
P1 S1 Cu1 112.04(2) . 5_666 ?
Cu1 S1 Cu1 72.345(14) . 5_666 ?
N2 P1 C9 101.51(6) . . ?
N2 P1 C6 105.82(6) . . ?
C9 P1 C6 112.02(7) . . ?
N2 P1 S1 115.78(5) . . ?
C9 P1 S1 110.26(5) . . ?
C6 P1 S1 111.10(5) . . ?
C1 N1 C5 117.73(12) . . ?
C1 N1 Cu1 124.01(9) . . ?
C5 N1 Cu1 112.76(9) . . ?
C1 N2 P1 128.30(9) . . ?
C1 N2 H2N 115.8 . . ?
P1 N2 H2N 115.8 . . ?
C12 N3 Cu1 163.03(13) . . ?
N1 C1 N2 118.24(11) . . ?
N1 C1 C2 122.82(13) . . ?
N2 C1 C2 118.94(13) . . ?
C3 C2 C1 118.29(15) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C2 C3 C4 119.51(14) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 118.56(14) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
N1 C5 C4 122.99(14) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C8 C6 C7 112.22(12) . . ?
C8 C6 P1 111.14(10) . . ?
C7 C6 P1 114.36(10) . . ?
C8 C6 H6 106.1 . . ?
C7 C6 H6 106.1 . . ?
P1 C6 H6 106.1 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C11 110.43(12) . . ?
C10 C9 P1 109.72(10) . . ?
C11 C9 P1 110.89(10) . . ?
C10 C9 H9 108.6 . . ?
C11 C9 H9 108.6 . . ?
P1 C9 H9 108.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 C13 178.5(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
F2 Sb1 F4 92.29(10) . . ?
F2 Sb1 F6 91.28(10) . . ?
F4 Sb1 F6 90.30(9) . . ?
F2 Sb1 F5 91.29(8) . . ?
F4 Sb1 F5 91.11(8) . . ?
F6 Sb1 F5 177.01(9) . . ?
F2 Sb1 F3 90.79(9) . . ?
F4 Sb1 F3 176.91(8) . . ?
F6 Sb1 F3 89.71(7) . . ?
F5 Sb1 F3 88.74(6) . . ?
F2 Sb1 F1 178.76(8) . . ?
F4 Sb1 F1 88.94(8) . . ?
F6 Sb1 F1 88.90(8) . . ?
F5 Sb1 F1 88.50(6) . . ?
F3 Sb1 F1 87.98(7) . . ?
F6' Sb1' F4' 90.9(3) . . ?
F6' Sb1' F2' 90.8(3) . . ?
F4' Sb1' F2' 91.1(3) . . ?
F6' Sb1' F3' 90.3(3) . . ?
F4' Sb1' F3' 178.7(3) . . ?
F2' Sb1' F3' 89.6(3) . . ?
F6' Sb1' F1' 89.2(3) . . ?
F4' Sb1' F1' 89.3(3) . . ?
F2' Sb1' F1' 179.6(3) . . ?
F3' Sb1' F1' 90.0(3) . . ?
F6' Sb1' F5' 178.7(4) . . ?
F4' Sb1' F5' 89.2(3) . . ?
F2' Sb1' F5' 90.5(3) . . ?
F3' Sb1' F5' 89.7(3) . . ?
F1' Sb1' F5' 89.5(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
Cu1 N3 1.9661(14) . ?
Cu1 N1 2.0957(11) . ?
Cu1 S1 2.2984(5) . ?
Cu1 S1 2.4110(4) 5_666 ?
Cu1 Cu1 2.7810(5) 5_666 ?
S1 P1 2.0032(5) . ?
S1 Cu1 2.4110(4) 5_666 ?
P1 N2 1.6735(12) . ?
P1 C9 1.8231(15) . ?
P1 C6 1.8278(14) . ?
N1 C1 1.3365(18) . ?
N1 C5 1.3545(18) . ?
N2 C1 1.3961(18) . ?
N2 H2N 0.8800 . ?
N3 C12 1.138(2) . ?
C1 C2 1.4031(18) . ?
C2 C3 1.378(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(2) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C8 1.534(2) . ?
C6 C7 1.535(2) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.532(2) . ?
C9 C11 1.535(2) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.456(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
Sb1 F2 1.8569(16) . ?
Sb1 F4 1.8618(14) . ?
Sb1 F6 1.8698(16) . ?
Sb1 F5 1.8720(13) . ?
Sb1 F3 1.8751(12) . ?
Sb1 F1 1.8922(13) . ?
Sb1' F6' 1.857(7) . ?
Sb1' F4' 1.862(6) . ?
Sb1' F2' 1.863(6) . ?
Sb1' F3' 1.879(6) . ?
Sb1' F1' 1.881(7) . ?
Sb1' F5' 1.882(6) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2N F1 0.88 2.14 2.9958(18) 164.8 .
N2 H2N F1' 0.88 2.25 3.049(7) 150.8 .
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
N3 Cu1 S1 P1 104.28(5) . . . . ?
N1 Cu1 S1 P1 -15.91(4) . . . . ?
S1 Cu1 S1 P1 -112.730(19) 5_666 . . . ?
Cu1 Cu1 S1 P1 -112.730(19) 5_666 . . . ?
N3 Cu1 S1 Cu1 -142.99(5) . . . 5_666 ?
N1 Cu1 S1 Cu1 96.82(4) . . . 5_666 ?
S1 Cu1 S1 Cu1 0.0 5_666 . . 5_666 ?
Cu1 S1 P1 N2 50.64(5) . . . . ?
Cu1 S1 P1 N2 -20.84(5) 5_666 . . . ?
Cu1 S1 P1 C9 165.11(5) . . . . ?
Cu1 S1 P1 C9 93.63(5) 5_666 . . . ?
Cu1 S1 P1 C6 -70.08(5) . . . . ?
Cu1 S1 P1 C6 -141.56(5) 5_666 . . . ?
N3 Cu1 N1 C1 -156.26(11) . . . . ?
S1 Cu1 N1 C1 -24.87(11) . . . . ?
S1 Cu1 N1 C1 84.01(10) 5_666 . . . ?
Cu1 Cu1 N1 C1 33.76(11) 5_666 . . . ?
N3 Cu1 N1 C5 50.66(11) . . . . ?
S1 Cu1 N1 C5 -177.95(9) . . . . ?
S1 Cu1 N1 C5 -69.07(9) 5_666 . . . ?
Cu1 Cu1 N1 C5 -119.32(9) 5_666 . . . ?
C9 P1 N2 C1 173.91(12) . . . . ?
C6 P1 N2 C1 56.81(13) . . . . ?
S1 P1 N2 C1 -66.71(13) . . . . ?
N1 Cu1 N3 C12 9.6(5) . . . . ?
S1 Cu1 N3 C12 -113.5(5) . . . . ?
S1 Cu1 N3 C12 107.4(5) 5_666 . . . ?
Cu1 Cu1 N3 C12 170.5(4) 5_666 . . . ?
C5 N1 C1 N2 -176.95(12) . . . . ?
Cu1 N1 C1 N2 31.20(16) . . . . ?
C5 N1 C1 C2 3.3(2) . . . . ?
Cu1 N1 C1 C2 -148.52(12) . . . . ?
P1 N2 C1 N1 14.09(18) . . . . ?
P1 N2 C1 C2 -166.19(11) . . . . ?
N1 C1 C2 C3 -1.2(2) . . . . ?
N2 C1 C2 C3 179.10(14) . . . . ?
C1 C2 C3 C4 -1.1(2) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C1 N1 C5 C4 -3.3(2) . . . . ?
Cu1 N1 C5 C4 151.62(12) . . . . ?
C3 C4 C5 N1 1.1(2) . . . . ?
N2 P1 C6 C8 69.63(11) . . . . ?
C9 P1 C6 C8 -40.14(12) . . . . ?
S1 P1 C6 C8 -163.95(9) . . . . ?
N2 P1 C6 C7 -162.03(10) . . . . ?
C9 P1 C6 C7 88.20(12) . . . . ?
S1 P1 C6 C7 -35.61(12) . . . . ?
N2 P1 C9 C10 -173.75(10) . . . . ?
C6 P1 C9 C10 -61.27(12) . . . . ?
S1 P1 C9 C10 63.01(11) . . . . ?
N2 P1 C9 C11 64.00(11) . . . . ?
C6 P1 C9 C11 176.48(9) . . . . ?
S1 P1 C9 C11 -59.24(10) . . . . ?
Cu1 N3 C12 C13 14(8) . . . . ?
