#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/77/2237722.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2237722
loop_
_publ_author_name
'Xiao, Linda'
'Bhadbhade, Mohan'
'Baker, Anthony T.'
_publ_section_title
;
 catena-Poly[[copper(I)-μ-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine]
 hexafluoridophosphate acetonitrile monosolvate] from single-crystal
 synchrotron data
;
_journal_coeditor_code           VM2190
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m231
_journal_paper_doi               10.1107/S1600536813006831
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu (C21 H13 N5 S2)] P F6, C2 H3 N'
_chemical_formula_moiety         'C21 H13 Cu N5 S2 +, F6 P -, C2 H3 N'
_chemical_formula_sum            'C23 H16 Cu F6 N6 P S2'
_chemical_formula_weight         649.05
_chemical_name_systematic
;
catena-Poly[[copper(I)-μ-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine]
hexafluoridophosphate acetonitrile monosolvate]
;
_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                 97.72(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.525(3)
_cell_length_b                   13.950(3)
_cell_length_c                   14.626(3)
_cell_measurement_reflns_used    9980
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      2.5
_cell_volume                     2532.3(10)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'BLU-ICE (McPhillips et al., 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '3-BM1 Australian Synchrotron'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_monochromator  Si<111>
_diffrn_radiation_source         'Synchrotron BM'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0129
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            28022
_diffrn_reflns_theta_full        23.83
_diffrn_reflns_theta_max         23.83
_diffrn_reflns_theta_min         1.64
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.162
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Thin plates'
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.572
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         3890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0359P)²+3.8973P],P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                3641
_reflns_number_total             3890
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2190.cif
_cod_data_source_block           I
_cod_original_cell_volume        2532.4(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237722
_cod_database_fobs_code          2237722
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.70815(2) 1.19154(2) 0.36895(2) 0.01965(11) Uani d . 1 1 . .
N N1 0.40269(16) 0.95445(14) 0.35587(13) 0.0159(4) Uani d . 1 1 . .
C C1 0.5696(2) 0.89759(19) 0.25992(17) 0.0211(6) Uani d . 1 1 . .
H H1 0.6257 0.8784 0.2285 0.025 Uiso calc R 1 1 . .
C C2 0.4814(2) 0.83892(18) 0.26281(17) 0.0197(5) Uani d . 1 1 . .
H H2 0.4773 0.7794 0.2339 0.024 Uiso calc R 1 1 . .
C C3 0.3990(2) 0.87086(17) 0.30999(16) 0.0165(5) Uani d . 1 1 . .
C C4 0.48924(19) 1.00992(17) 0.35293(16) 0.0162(5) Uani d . 1 1 . .
C C5 0.5735(2) 0.98545(18) 0.30444(17) 0.0197(5) Uani d . 1 1 . .
H H5 0.6311 1.0270 0.3020 0.024 Uiso calc R 1 1 . .
S S1A 0.21354(5) 0.84000(5) 0.39190(4) 0.02002(16) Uani d . 1 1 . .
N N1A 0.27744(16) 0.73513(14) 0.26615(14) 0.0163(4) Uani d . 1 1 . .
N N2A 0.17898(16) 0.59744(15) 0.15433(14) 0.0180(4) Uani d . 1 1 . .
C C1A 0.3024(2) 0.81261(17) 0.31486(16) 0.0160(5) Uani d . 1 1 . .
C C2A 0.18499(19) 0.69316(17) 0.28980(17) 0.0173(5) Uani d . 1 1 . .
C C3A 0.1400(2) 0.74016(19) 0.35688(17) 0.0207(5) Uani d . 1 1 . .
H H3A 0.0781 0.7207 0.3803 0.025 Uiso calc R 1 1 . .
C C4A 0.14469(19) 0.60735(18) 0.23785(17) 0.0173(5) Uani d . 1 1 . .
C C5A 0.0784(2) 0.5404(2) 0.27187(18) 0.0239(6) Uani d . 1 1 . .
H H5A 0.0574 0.5484 0.3300 0.029 Uiso calc R 1 1 . .
C C6A 0.0438(2) 0.4617(2) 0.21859(19) 0.0276(6) Uani d . 1 1 . .
H H6A -0.0001 0.4157 0.2405 0.033 Uiso calc R 1 1 . .
C C7A 0.0757(2) 0.4527(2) 0.13181(19) 0.0275(6) Uani d . 1 1 . .
H H7A 0.0520 0.4015 0.0937 0.033 Uiso calc R 1 1 . .
C C8A 0.1432(2) 0.52119(18) 0.10326(18) 0.0232(6) Uani d . 1 1 . .
H H8A 0.1652 0.5142 0.0454 0.028 Uiso calc R 1 1 . .
S S1B 0.37811(5) 1.12599(5) 0.46088(4) 0.02089(16) Uani d . 1 1 . .
N N1B 0.56301(16) 1.16578(14) 0.41446(13) 0.0154(4) Uani d . 1 1 . .
N N2B 0.69867(17) 1.31538(14) 0.43946(14) 0.0193(5) Uani d . 1 1 . .
C C1B 0.48752(19) 1.09985(18) 0.40534(16) 0.0165(5) Uani d . 1 1 . .
C C2B 0.5353(2) 1.24125(18) 0.46810(16) 0.0173(5) Uani d . 1 1 . .
C C3B 0.4376(2) 1.23154(18) 0.49859(17) 0.0207(5) Uani d . 1 1 . .
H H4B 0.4076 1.2762 0.5349 0.025 Uiso calc R 1 1 . .
C C4B 0.6105(2) 1.32303(18) 0.48297(17) 0.0190(5) Uani d . 1 1 . .
C C5B 0.5930(2) 1.40191(19) 0.53706(18) 0.0248(6) Uani d . 1 1 . .
H H5B 0.5330 1.4047 0.5682 0.030 Uiso calc R 1 1 . .
C C6B 0.6670(2) 1.47623(19) 0.54353(19) 0.0290(6) Uani d . 1 1 . .
H H6B 0.6566 1.5303 0.5785 0.035 Uiso calc R 1 1 . .
C C7B 0.7559(2) 1.46972(19) 0.49804(18) 0.0263(6) Uani d . 1 1 . .
H H7B 0.8059 1.5193 0.5013 0.032 Uiso calc R 1 1 . .
C C8B 0.7696(2) 1.38795(19) 0.44740(18) 0.0239(6) Uani d . 1 1 . .
H H8B 0.8305 1.3831 0.4176 0.029 Uiso calc R 1 1 . .
P P1 0.91781(5) 0.77051(5) 0.06197(5) 0.02250(17) Uani d . 1 1 . .
F F1 1.02028(15) 0.72763(13) 0.02232(14) 0.0467(5) Uani d . 1 1 A .
F F2 0.9637(5) 0.7561(5) 0.1692(5) 0.0320(13) Uani d P 0.50 1 A 1
F F3 0.8706(11) 0.6650(9) 0.0595(7) 0.034(2) Uani d P 0.50 1 A 1
F F4 0.8738(5) 0.7876(5) -0.0432(4) 0.0503(15) Uani d P 0.50 1 A 1
F F5 0.9640(8) 0.8778(6) 0.0694(4) 0.0348(15) Uani d P 0.50 1 A 1
F F2' 1.0012(6) 0.7796(6) 0.1511(5) 0.064(2) Uani d P 0.50 1 A 2
F F3' 0.8878(13) 0.6654(11) 0.0896(8) 0.063(4) Uani d P 0.50 1 A 2
F F4' 0.8345(5) 0.7575(6) -0.0299(5) 0.063(2) Uani d P 0.50 1 A 2
F F5' 0.9533(8) 0.8721(7) 0.0272(6) 0.080(3) Uani d P 0.50 1 A 2
F F6 0.81523(16) 0.81302(15) 0.10063(17) 0.0572(6) Uani d . 1 1 A .
C C1AN 0.1934(3) 0.1022(3) 0.2238(2) 0.0507(9) Uani d . 1 1 . .
H H1A1 0.1468 0.0772 0.1718 0.076 Uiso calc R 1 1 . .
H H1A2 0.1637 0.1606 0.2442 0.076 Uiso calc R 1 1 . .
H H1A3 0.2001 0.0562 0.2730 0.076 Uiso calc R 1 1 . .
C C2AN 0.2998(3) 0.1214(2) 0.19694(19) 0.0297(7) Uani d . 1 1 . .
N N1AN 0.3824(2) 0.13309(19) 0.17597(18) 0.0368(6) Uani d . 1 1 . .
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'
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'
P P 0.1023 0.0942 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N2A Cu1 N2B 2_655 . 137.85(9)
N2A Cu1 N1B 2_655 . 128.37(8)
N2B Cu1 N1B . . 82.47(8)
N2A Cu1 N1A 2_655 2_655 82.95(8)
N2B Cu1 N1A . 2_655 104.53(8)
N1B Cu1 N1A . 2_655 123.28(8)
C4 N1 C3 . . 117.4(2)
C2 C1 C5 . . 119.2(2)
C2 C1 H1 . . 120.4
C5 C1 H1 . . 120.4
C1 C2 C3 . . 118.4(2)
C1 C2 H2 . . 120.8
C3 C2 H2 . . 120.8
N1 C3 C2 . . 123.3(2)
N1 C3 C1A . . 115.5(2)
C2 C3 C1A . . 121.3(2)
N1 C4 C5 . . 123.3(2)
N1 C4 C1B . . 114.1(2)
C5 C4 C1B . . 122.7(2)
C1 C5 C4 . . 118.4(2)
C1 C5 H5 . . 120.8
C4 C5 H5 . . 120.8
C3A S1A C1A . . 89.57(12)
C1A N1A C2A . . 111.1(2)
C1A N1A Cu1 . 2_645 135.01(17)
C2A N1A Cu1 . 2_645 107.09(15)
C8A N2A C4A . . 117.4(2)
C8A N2A Cu1 . 2_645 128.23(18)
C4A N2A Cu1 . 2_645 113.89(16)
N1A C1A C3 . . 124.7(2)
N1A C1A S1A . . 114.16(18)
C3 C1A S1A . . 121.09(18)
C3A C2A N1A . . 114.7(2)
C3A C2A C4A . . 128.1(2)
N1A C2A C4A . . 117.2(2)
C2A C3A S1A . . 110.47(19)
C2A C3A H3A . . 124.8
S1A C3A H3A . . 124.8
N2A C4A C5A . . 122.2(2)
N2A C4A C2A . . 114.9(2)
C5A C4A C2A . . 122.9(2)
C6A C5A C4A . . 119.4(2)
C6A C5A H5A . . 120.3
C4A C5A H5A . . 120.3
C5A C6A C7A . . 118.8(2)
C5A C6A H6A . . 120.6
C7A C6A H6A . . 120.6
C8A C7A C6A . . 118.6(3)
C8A C7A H7A . . 120.7
C6A C7A H7A . . 120.7
N2A C8A C7A . . 123.6(2)
N2A C8A H8A . . 118.2
C7A C8A H8A . . 118.2
C3B S1B C1B . . 89.68(12)
C1B N1B C2B . . 111.0(2)
C1B N1B Cu1 . . 138.40(17)
C2B N1B Cu1 . . 110.56(16)
C8B N2B C4B . . 118.3(2)
C8B N2B Cu1 . . 127.22(18)
C4B N2B Cu1 . . 114.53(17)
N1B C1B C4 . . 126.1(2)
N1B C1B S1B . . 114.28(18)
C4 C1B S1B . . 119.61(18)
C3B C2B N1B . . 114.4(2)
C3B C2B C4B . . 127.6(2)
N1B C2B C4B . . 117.9(2)
C2B C3B S1B . . 110.60(19)
C2B C3B H4B . . 124.7
S1B C3B H4B . . 124.7
N2B C4B C5B . . 122.1(2)
N2B C4B C2B . . 114.5(2)
C5B C4B C2B . . 123.3(2)
C6B C5B C4B . . 118.5(3)
C6B C5B H5B . . 120.8
C4B C5B H5B . . 120.8
C7B C6B C5B . . 119.7(3)
C7B C6B H6B . . 120.1
C5B C6B H6B . . 120.1
C6B C7B C8B . . 118.7(3)
C6B C7B H7B . . 120.7
C8B C7B H7B . . 120.7
N2B C8B C7B . . 122.7(3)
N2B C8B H8B . . 118.6
C7B C8B H8B . . 118.6
F2' P1 F3' . . 91.0(5)
F2' P1 F4 . . 155.0(4)
F3' P1 F4 . . 109.0(5)
F2' P1 F3 . . 107.4(5)
F3' P1 F3 . . 16.8(6)
F4 P1 F3 . . 92.2(5)
F2' P1 F6 . . 98.9(3)
F3' P1 F6 . . 91.4(6)
F4 P1 F6 . . 95.6(3)
F3 P1 F6 . . 92.2(5)
F2' P1 F5' . . 90.6(5)
F3' P1 F5' . . 174.9(7)
F4 P1 F5' . . 68.3(4)
F3 P1 F5' . . 160.2(5)
F6 P1 F5' . . 93.2(3)
F2' P1 F1 . . 81.6(3)
F3' P1 F1 . . 88.6(6)
F4 P1 F1 . . 84.0(3)
F3 P1 F1 . . 87.7(5)
F6 P1 F1 . . 179.52(13)
F5' P1 F1 . . 86.8(3)
F2' P1 F4' . . 177.9(4)
F3' P1 F4' . . 87.6(5)
F4 P1 F4' . . 25.2(2)
F3 P1 F4' . . 71.1(5)
F6 P1 F4' . . 82.8(3)
F5' P1 F4' . . 90.7(4)
F1 P1 F4' . . 96.8(3)
F2' P1 F5 . . 70.9(4)
F3' P1 F5 . . 161.0(4)
F4 P1 F5 . . 90.0(3)
F3 P1 F5 . . 177.2(5)
F6 P1 F5 . . 86.0(3)
F5' P1 F5 . . 22.4(4)
F1 P1 F5 . . 94.2(3)
F4' P1 F5 . . 110.7(4)
F2' P1 F2 . . 23.9(3)
F3' P1 F2 . . 72.6(4)
F4 P1 F2 . . 178.4(3)
F3 P1 F2 . . 89.4(4)
F6 P1 F2 . . 84.2(2)
F5' P1 F2 . . 110.2(4)
F1 P1 F2 . . 96.2(2)
F4' P1 F2 . . 156.0(3)
F5 P1 F2 . . 88.4(3)
C2AN C1AN H1A1 . . 109.5
C2AN C1AN H1A2 . . 109.5
H1A1 C1AN H1A2 . . 109.5
C2AN C1AN H1A3 . . 109.5
H1A1 C1AN H1A3 . . 109.5
H1A2 C1AN H1A3 . . 109.5
N1AN C2AN C1AN . . 177.8(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 N2A 2_655 1.992(2)
Cu1 N2B . 2.024(2)
Cu1 N1B . 2.050(2)
Cu1 N1A 2_655 2.098(2)
N1 C4 . 1.337(3)
N1 C3 . 1.343(3)
C1 C2 . 1.380(4)
C1 C5 . 1.386(4)
C1 H1 . 0.9300
C2 C3 . 1.390(4)
C2 H2 . 0.9300
C3 C1A . 1.467(3)
C4 C5 . 1.391(4)
C4 C1B . 1.472(3)
C5 H5 . 0.9300
S1A C3A . 1.710(3)
S1A C1A . 1.730(2)
N1A C1A . 1.309(3)
N1A C2A . 1.382(3)
N1A Cu1 2_645 2.098(2)
N2A C8A . 1.342(3)
N2A C4A . 1.355(3)
N2A Cu1 2_645 1.992(2)
C2A C3A . 1.363(4)
C2A C4A . 1.470(4)
C3A H3A . 0.9300
C4A C5A . 1.385(4)
C5A C6A . 1.382(4)
C5A H5A . 0.9300
C6A C7A . 1.387(4)
C6A H6A . 0.9300
C7A C8A . 1.377(4)
C7A H7A . 0.9300
C8A H8A . 0.9300
S1B C3B . 1.708(3)
S1B C1B . 1.723(2)
N1B C1B . 1.313(3)
N1B C2B . 1.385(3)
N2B C8B . 1.342(3)
N2B C4B . 1.351(3)
C2B C3B . 1.364(4)
C2B C4B . 1.476(4)
C3B H4B . 0.9300
C4B C5B . 1.390(4)
C5B C6B . 1.385(4)
C5B H5B . 0.9300
C6B C7B . 1.375(4)
C6B H6B . 0.9300
C7B C8B . 1.383(4)
C7B H7B . 0.9300
C8B H8B . 0.9300
P1 F2' . 1.562(7)
P1 F3' . 1.580(16)
P1 F4 . 1.581(6)
P1 F3 . 1.585(13)
P1 F6 . 1.587(2)
P1 F5' . 1.589(9)
P1 F1 . 1.5941(18)
P1 F4' . 1.597(7)
P1 F5 . 1.603(9)
P1 F2 . 1.609(7)
C1AN C2AN . 1.464(4)
C1AN H1A1 . 0.9600
C1AN H1A2 . 0.9600
C1AN H1A3 . 0.9600
C2AN N1AN . 1.130(4)
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_site_symmetry_1
_geom_torsion
C5 C1 C2 C3 . 0.5(4)
C4 N1 C3 C2 . 2.0(3)
C4 N1 C3 C1A . -179.8(2)
C1 C2 C3 N1 . -2.6(4)
C1 C2 C3 C1A . 179.3(2)
C3 N1 C4 C5 . 0.6(3)
C3 N1 C4 C1B . -179.6(2)
C2 C1 C5 C4 . 1.9(4)
N1 C4 C5 C1 . -2.6(4)
C1B C4 C5 C1 . 177.7(2)
C2A N1A C1A C3 . 176.6(2)
Cu1 N1A C1A C3 2_645 -37.1(4)
C2A N1A C1A S1A . -0.7(3)
Cu1 N1A C1A S1A 2_645 145.62(16)
N1 C3 C1A N1A . 171.2(2)
C2 C3 C1A N1A . -10.5(4)
N1 C3 C1A S1A . -11.7(3)
C2 C3 C1A S1A . 166.63(19)
C3A S1A C1A N1A . 0.76(19)
C3A S1A C1A C3 . -176.6(2)
C1A N1A C2A C3A . 0.2(3)
Cu1 N1A C2A C3A 2_645 -155.55(18)
C1A N1A C2A C4A . 177.6(2)
Cu1 N1A C2A C4A 2_645 21.8(2)
N1A C2A C3A S1A . 0.3(3)
C4A C2A C3A S1A . -176.7(2)
C1A S1A C3A C2A . -0.6(2)
C8A N2A C4A C5A . 2.3(3)
Cu1 N2A C4A C5A 2_645 -170.47(19)
C8A N2A C4A C2A . -178.9(2)
Cu1 N2A C4A C2A 2_645 8.3(3)
C3A C2A C4A N2A . 155.6(2)
N1A C2A C4A N2A . -21.4(3)
C3A C2A C4A C5A . -25.6(4)
N1A C2A C4A C5A . 157.4(2)
N2A C4A C5A C6A . -1.4(4)
C2A C4A C5A C6A . 179.9(2)
C4A C5A C6A C7A . -0.7(4)
C5A C6A C7A C8A . 1.8(4)
C4A N2A C8A C7A . -1.1(4)
Cu1 N2A C8A C7A 2_645 170.5(2)
C6A C7A C8A N2A . -1.0(4)
N2A Cu1 N1B C1B 2_655 -35.2(3)
N2B Cu1 N1B C1B . 176.7(3)
N1A Cu1 N1B C1B 2_655 74.2(3)
N2A Cu1 N1B C2B 2_655 147.28(15)
N2B Cu1 N1B C2B . -0.84(16)
N1A Cu1 N1B C2B 2_655 -103.31(16)
N2A Cu1 N2B C8B 2_655 39.4(3)
N1B Cu1 N2B C8B . -178.7(2)
N1A Cu1 N2B C8B 2_655 -56.2(2)
N2A Cu1 N2B C4B 2_655 -140.17(17)
N1B Cu1 N2B C4B . 1.73(17)
N1A Cu1 N2B C4B 2_655 124.25(17)
C2B N1B C1B C4 . 179.8(2)
Cu1 N1B C1B C4 . 2.3(4)
C2B N1B C1B S1B . 0.3(3)
Cu1 N1B C1B S1B . -177.16(14)
N1 C4 C1B N1B . 179.0(2)
C5 C4 C1B N1B . -1.2(4)
N1 C4 C1B S1B . -1.5(3)
C5 C4 C1B S1B . 178.24(19)
C3B S1B C1B N1B . -0.1(2)
C3B S1B C1B C4 . -179.6(2)
C1B N1B C2B C3B . -0.5(3)
Cu1 N1B C2B C3B . 177.75(17)
C1B N1B C2B C4B . -178.3(2)
Cu1 N1B C2B C4B . -0.1(3)
N1B C2B C3B S1B . 0.4(3)
C4B C2B C3B S1B . 178.0(2)
C1B S1B C3B C2B . -0.2(2)
C8B N2B C4B C5B . -1.8(4)
Cu1 N2B C4B C5B . 177.81(19)
C8B N2B C4B C2B . 178.2(2)
Cu1 N2B C4B C2B . -2.2(3)
C3B C2B C4B N2B . -176.0(2)
N1B C2B C4B N2B . 1.5(3)
C3B C2B C4B C5B . 4.0(4)
N1B C2B C4B C5B . -178.5(2)
N2B C4B C5B C6B . 2.3(4)
C2B C4B C5B C6B . -177.7(2)
C4B C5B C6B C7B . -1.0(4)
C5B C6B C7B C8B . -0.6(4)
C4B N2B C8B C7B . 0.0(4)
Cu1 N2B C8B C7B . -179.53(19)
C6B C7B C8B N2B . 1.2(4)
