#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:49:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179426 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/23/4332319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4332319
loop_
_publ_author_name
'Zhao, Shu-Bin'
'Wang, Rui-Yao'
'Wang, Suning'
_publ_section_title
;
 Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: 
 Persistent 3-Coordinate Geometry, Luminescence, and Reactivity
;
_journal_issue                   15
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5830
_journal_page_last               5840
_journal_paper_doi               10.1021/ic060237h
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C74 H60 B2 Cl8 Cu2 F8 N8 P2'
_chemical_formula_weight         1707.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.117(6)
_cell_angle_beta                 102.741(5)
_cell_angle_gamma                116.504(5)
_cell_formula_units_Z            1
_cell_length_a                   12.323(4)
_cell_length_b                   13.386(4)
_cell_length_c                   13.496(4)
_cell_measurement_temperature    180(2)
_cell_volume                     1913.2(10)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.899
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13374
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.775
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             866
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.283
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.0772
_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)+(0.1068P)²+5.1917P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2064
_refine_ls_wR_factor_ref         0.2303
_reflns_number_gt                5904
_reflns_number_total             8589
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060237hsup2.cif
_cod_data_source_block           zsb140
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332319
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu -0.19166(6) -0.04403(5) 0.13414(4) 0.03018(19) Uani 1 1 d .
P1 P -0.09554(12) 0.11501(10) 0.24916(9) 0.0296(3) Uani 1 1 d .
N1 N -0.3461(4) -0.1002(4) 0.0110(3) 0.0374(9) Uani 1 1 d .
N2 N -0.2409(4) -0.0596(3) -0.1249(3) 0.0309(8) Uani 1 1 d .
N3 N -0.1665(4) -0.1720(3) 0.1961(3) 0.0307(8) Uani 1 1 d .
N4 N 0.0178(4) -0.1421(3) 0.1420(3) 0.0312(8) Uani 1 1 d .
C1 C -0.1183(4) -0.0278(4) -0.0650(3) 0.0265(9) Uani 1 1 d .
C2 C -0.1039(4) -0.0968(4) 0.0056(3) 0.0283(9) Uani 1 1 d .
H2A H -0.1757 -0.1640 0.0084 0.034 Uiso 1 1 calc R
C3 C 0.0129(4) -0.0691(4) 0.0716(3) 0.0278(9) Uani 1 1 d .
C4 C -0.2831(5) -0.0739(5) -0.2328(4) 0.0407(12) Uani 1 1 d .
H4A H -0.2303 -0.0555 -0.2780 0.049 Uiso 1 1 calc R
C5 C -0.4084(5) -0.1172(6) -0.2624(4) 0.0503(14) Uani 1 1 d .
H5A H -0.4594 -0.1343 -0.3313 0.060 Uiso 1 1 calc R
C6 C -0.4519(5) -0.1331(5) -0.1721(4) 0.0469(13) Uani 1 1 d .
C7 C -0.5699(6) -0.1766(7) -0.1512(5) 0.066(2) Uani 1 1 d .
H7A H -0.6455 -0.2023 -0.2050 0.080 Uiso 1 1 calc R
C8 C -0.5717(6) -0.1807(7) -0.0499(5) 0.067(2) Uani 1 1 d .
H8A H -0.6498 -0.2105 -0.0330 0.080 Uiso 1 1 calc R
C9 C -0.4613(5) -0.1419(5) 0.0270(5) 0.0500(14) Uani 1 1 d .
H9A H -0.4666 -0.1448 0.0960 0.060 Uiso 1 1 calc R
C10 C -0.3467(4) -0.0981(4) -0.0879(4) 0.0336(10) Uani 1 1 d .
C11 C 0.1019(5) -0.1879(5) 0.1616(4) 0.0377(11) Uani 1 1 d .
H11A H 0.1719 -0.1678 0.1339 0.045 Uiso 1 1 calc R
C12 C 0.0695(5) -0.2632(5) 0.2243(4) 0.0409(12) Uani 1 1 d .
H12A H 0.1118 -0.3053 0.2486 0.049 Uiso 1 1 calc R
C13 C -0.0415(5) -0.2694(4) 0.2484(4) 0.0352(11) Uani 1 1 d .
C14 C -0.1194(6) -0.3282(5) 0.3082(4) 0.0443(13) Uani 1 1 d .
H14A H -0.1040 -0.3802 0.3465 0.053 Uiso 1 1 calc R
C15 C -0.2194(6) -0.3088(5) 0.3101(4) 0.0467(14) Uani 1 1 d .
H15A H -0.2750 -0.3486 0.3496 0.056 Uiso 1 1 calc R
C16 C -0.2399(5) -0.2314(4) 0.2549(4) 0.0386(12) Uani 1 1 d .
H16A H -0.3094 -0.2194 0.2588 0.046 Uiso 1 1 calc R
C17 C -0.0715(5) -0.1934(4) 0.1947(3) 0.0302(10) Uani 1 1 d .
C18 C -0.0704(5) 0.2450(4) 0.2000(4) 0.0350(11) Uani 1 1 d .
C19 C -0.0973(6) 0.3254(5) 0.2409(5) 0.0488(14) Uani 1 1 d .
H19A H -0.1310 0.3144 0.2987 0.059 Uiso 1 1 calc R
C20 C -0.0754(8) 0.4216(6) 0.1980(6) 0.068(2) Uani 1 1 d .
H20A H -0.0973 0.4749 0.2252 0.081 Uiso 1 1 calc R
C21 C -0.0240(9) 0.4412(6) 0.1191(6) 0.079(2) Uani 1 1 d .
H21A H -0.0097 0.5077 0.0904 0.095 Uiso 1 1 calc R
C22 C 0.0080(12) 0.3646(7) 0.0797(6) 0.105(4) Uani 1 1 d .
H22A H 0.0485 0.3798 0.0260 0.126 Uiso 1 1 calc R
C23 C -0.0192(10) 0.2650(7) 0.1188(6) 0.088(3) Uani 1 1 d .
H23A H -0.0019 0.2099 0.0885 0.106 Uiso 1 1 calc R
C24 C -0.1856(5) 0.1074(4) 0.3411(3) 0.0328(10) Uani 1 1 d .
C25 C -0.3105(5) 0.0266(5) 0.3167(4) 0.0410(12) Uani 1 1 d .
H25A H -0.3474 -0.0249 0.2531 0.049 Uiso 1 1 calc R
C26 C -0.3833(6) 0.0198(5) 0.3843(5) 0.0503(14) Uani 1 1 d .
H26A H -0.4692 -0.0364 0.3672 0.060 Uiso 1 1 calc R
C27 C -0.3302(6) 0.0946(6) 0.4754(5) 0.0529(15) Uani 1 1 d .
H27A H -0.3802 0.0908 0.5209 0.064 Uiso 1 1 calc R
C28 C -0.2058(6) 0.1750(6) 0.5018(4) 0.0573(17) Uani 1 1 d .
H28A H -0.1699 0.2262 0.5656 0.069 Uiso 1 1 calc R
C29 C -0.1321(6) 0.1815(6) 0.4352(4) 0.0484(14) Uani 1 1 d .
H29A H -0.0456 0.2364 0.4539 0.058 Uiso 1 1 calc R
C31 C 0.0591(5) 0.1493(5) 0.3344(4) 0.0372(11) Uani 1 1 d .
C32 C 0.1662(6) 0.2502(6) 0.3439(5) 0.0506(14) Uani 1 1 d .
H32A H 0.1631 0.3050 0.3030 0.061 Uiso 1 1 calc R
C33 C 0.2802(6) 0.2718(6) 0.4144(5) 0.0633(18) Uani 1 1 d .
H33A H 0.3536 0.3421 0.4223 0.076 Uiso 1 1 calc R
C34 C 0.2859(6) 0.1930(7) 0.4712(5) 0.0625(19) Uani 1 1 d .
H34A H 0.3634 0.2079 0.5182 0.075 Uiso 1 1 calc R
C35 C 0.1789(6) 0.0909(7) 0.4608(4) 0.0549(17) Uani 1 1 d .
H35A H 0.1829 0.0358 0.5009 0.066 Uiso 1 1 calc R
C36 C 0.0673(6) 0.0690(5) 0.3930(4) 0.0439(13) Uani 1 1 d .
H36A H -0.0055 -0.0016 0.3856 0.053 Uiso 1 1 calc R
C37 C -0.7176(17) -0.4209(11) -0.5218(13) 0.160(6) Uani 1 1 d .
H37A H -0.7042 -0.4699 -0.5701 0.192 Uiso 1 1 calc R
H37B H -0.6886 -0.3451 -0.5419 0.192 Uiso 1 1 calc R
Cl1 Cl -0.6377(4) -0.4103(3) -0.4002(4) 0.206(3) Uani 1 1 d .
Cl2 Cl -0.8789(5) -0.4809(3) -0.5249(4) 0.210(3) Uani 1 1 d .
C38 C -0.3804(9) -0.4826(7) -0.1043(6) 0.089(3) Uani 1 1 d .
H38A H -0.3350 -0.5134 -0.1374 0.107 Uiso 1 1 calc R
H38B H -0.4670 -0.5444 -0.1137 0.107 Uiso 1 1 calc R
Cl3 Cl -0.3873(4) -0.3739(3) -0.1632(3) 0.1481(14) Uani 1 1 d .
Cl4 Cl -0.3036(3) -0.4365(3) 0.0276(2) 0.1219(10) Uani 1 1 d .
B1 B -0.6277(9) -0.2778(10) -0.7473(9) 0.090(3) Uani 1 1 d .
F1 F -0.6361(8) -0.1956(10) -0.8146(6) 0.177(4) Uani 1 1 d .
F2 F -0.7252(5) -0.3725(6) -0.7911(8) 0.193(5) Uani 1 1 d .
F3 F -0.6360(5) -0.2347(4) -0.6607(4) 0.0992(17) Uani 1 1 d .
F4 F -0.5167(4) -0.2635(5) -0.7519(5) 0.1058(18) 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
N1 Cu1 N3 113.91(17) . .
N1 Cu1 P1 129.76(13) . .
N3 Cu1 P1 111.12(12) . .
N1 Cu1 C2 82.49(16) . .
N3 Cu1 C2 80.82(15) . .
P1 Cu1 C2 126.22(12) . .
C18 P1 C24 104.7(2) . .
C18 P1 C31 104.1(2) . .
C24 P1 C31 101.9(2) . .
C18 P1 Cu1 116.92(16) . .
C24 P1 Cu1 110.66(17) . .
C31 P1 Cu1 116.95(17) . .
C10 N1 C9 114.2(4) . .
C10 N1 Cu1 126.6(3) . .
C9 N1 Cu1 119.3(4) . .
C10 N2 C1 124.8(4) . .
C10 N2 C4 107.2(4) . .
C1 N2 C4 127.4(4) . .
C17 N3 C16 114.5(4) . .
C17 N3 Cu1 125.0(3) . .
C16 N3 Cu1 119.8(3) . .
C17 N4 C11 107.3(4) . .
C17 N4 C3 124.8(4) . .
C11 N4 C3 127.4(4) . .
C3 C1 C2 119.6(4) 2 .
C3 C1 N2 123.0(4) 2 .
C2 C1 N2 117.4(4) . .
C3 C2 C1 121.5(4) . .
C3 C2 Cu1 97.3(3) . .
C1 C2 Cu1 98.6(3) . .
C2 C3 C1 118.9(4) . 2
C2 C3 N4 117.5(4) . .
C1 C3 N4 123.6(4) 2 .
C5 C4 N2 109.9(5) . .
C4 C5 C6 107.7(5) . .
C10 C6 C7 116.8(5) . .
C10 C6 C5 107.4(5) . .
C7 C6 C5 135.8(5) . .
C8 C7 C6 117.5(6) . .
C9 C8 C7 120.5(6) . .
N1 C9 C8 124.3(5) . .
N1 C10 N2 125.5(4) . .
N1 C10 C6 126.7(5) . .
N2 C10 C6 107.7(4) . .
C12 C11 N4 110.5(5) . .
C11 C12 C13 107.6(5) . .
C14 C13 C17 116.9(5) . .
C14 C13 C12 136.6(5) . .
C17 C13 C12 106.5(4) . .
C15 C14 C13 117.9(5) . .
C14 C15 C16 120.5(5) . .
N3 C16 C15 123.7(5) . .
N3 C17 N4 125.5(4) . .
N3 C17 C13 126.4(4) . .
N4 C17 C13 108.1(4) . .
C23 C18 C19 118.3(5) . .
C23 C18 P1 117.5(4) . .
C19 C18 P1 124.2(4) . .
C18 C19 C20 120.1(6) . .
C21 C20 C19 121.2(6) . .
C20 C21 C22 119.7(6) . .
C21 C22 C23 119.7(7) . .
C18 C23 C22 120.9(6) . .
C25 C24 C29 119.1(5) . .
C25 C24 P1 119.1(4) . .
C29 C24 P1 121.8(4) . .
C24 C25 C26 120.7(5) . .
C27 C26 C25 119.5(6) . .
C26 C27 C28 120.8(5) . .
C27 C28 C29 119.9(5) . .
C24 C29 C28 119.9(6) . .
C32 C31 C36 118.9(5) . .
C32 C31 P1 123.3(4) . .
C36 C31 P1 117.8(4) . .
C31 C32 C33 119.7(6) . .
C34 C33 C32 120.4(7) . .
C33 C34 C35 120.0(6) . .
C36 C35 C34 120.2(6) . .
C35 C36 C31 120.7(6) . .
Cl1 C37 Cl2 106.8(8) . .
Cl3 C38 Cl4 111.5(5) . .
F2 B1 F4 118.9(9) . .
F2 B1 F3 112.6(8) . .
F4 B1 F3 117.9(9) . .
F2 B1 F1 104.7(11) . .
F4 B1 F1 97.4(8) . .
F3 B1 F1 100.9(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.035(4) .
Cu1 N3 2.061(4) .
Cu1 P1 2.2190(14) .
Cu1 C2 2.461(4) .
P1 C18 1.817(5) .
P1 C24 1.817(5) .
P1 C31 1.833(5) .
N1 C10 1.334(6) .
N1 C9 1.348(7) .
N2 C10 1.389(6) .
N2 C1 1.402(6) .
N2 C4 1.406(6) .
N3 C17 1.327(6) .
N3 C16 1.351(6) .
N4 C17 1.383(6) .
N4 C11 1.407(6) .
N4 C3 1.411(6) .
C1 C3 1.392(6) 2
C1 C2 1.399(6) .
C2 C3 1.388(6) .
C3 C1 1.392(6) 2
C4 C5 1.336(8) .
C5 C6 1.425(8) .
C6 C10 1.394(7) .
C6 C7 1.406(8) .
C7 C8 1.376(9) .
C8 C9 1.372(9) .
C11 C12 1.333(7) .
C12 C13 1.443(7) .
C13 C14 1.388(7) .
C13 C17 1.413(7) .
C14 C15 1.374(8) .
C15 C16 1.388(7) .
C18 C23 1.362(8) .
C18 C19 1.381(7) .
C19 C20 1.381(8) .
C20 C21 1.336(10) .
C21 C22 1.371(11) .
C22 C23 1.387(10) .
C24 C25 1.378(7) .
C24 C29 1.394(7) .
C25 C26 1.393(7) .
C26 C27 1.367(9) .
C27 C28 1.372(9) .
C28 C29 1.392(8) .
C31 C32 1.377(8) .
C31 C36 1.394(8) .
C32 C33 1.408(9) .
C33 C34 1.355(10) .
C34 C35 1.384(10) .
C35 C36 1.369(8) .
C37 Cl1 1.679(17) .
C37 Cl2 1.770(16) .
C38 Cl3 1.722(10) .
C38 Cl4 1.750(8) .
B1 F2 1.283(11) .
B1 F4 1.310(10) .
B1 F3 1.321(10) .
B1 F1 1.489(16) .
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_4
N1 Cu1 P1 C18 -44.0(3) . .
N3 Cu1 P1 C18 163.6(2) . .
C2 Cu1 P1 C18 69.5(2) . .
N1 Cu1 P1 C24 75.7(2) . .
N3 Cu1 P1 C24 -76.7(2) . .
C2 Cu1 P1 C24 -170.8(2) . .
N1 Cu1 P1 C31 -168.3(2) . .
N3 Cu1 P1 C31 39.2(2) . .
C2 Cu1 P1 C31 -54.8(2) . .
N3 Cu1 N1 C10 -105.6(4) . .
P1 Cu1 N1 C10 102.6(4) . .
C2 Cu1 N1 C10 -29.2(4) . .
N3 Cu1 N1 C9 76.1(5) . .
P1 Cu1 N1 C9 -75.7(5) . .
C2 Cu1 N1 C9 152.6(5) . .
N1 Cu1 N3 C17 113.6(4) . .
P1 Cu1 N3 C17 -89.3(4) . .
C2 Cu1 N3 C17 36.1(4) . .
N1 Cu1 N3 C16 -75.7(4) . .
P1 Cu1 N3 C16 81.4(4) . .
C2 Cu1 N3 C16 -153.2(4) . .
C10 N2 C1 C3 -136.0(5) . 2
C4 N2 C1 C3 53.5(7) . 2
C10 N2 C1 C2 42.7(6) . .
C4 N2 C1 C2 -127.7(5) . .
C3 C1 C2 C3 1.9(7) 2 .
N2 C1 C2 C3 -176.9(4) . .
C3 C1 C2 Cu1 106.0(4) 2 .
N2 C1 C2 Cu1 -72.8(4) . .
N1 Cu1 C2 C3 -178.4(3) . .
N3 Cu1 C2 C3 -62.6(3) . .
P1 Cu1 C2 C3 46.9(3) . .
N1 Cu1 C2 C1 58.1(3) . .
N3 Cu1 C2 C1 173.9(3) . .
P1 Cu1 C2 C1 -76.6(3) . .
C1 C2 C3 C1 -1.9(7) . 2
Cu1 C2 C3 C1 -106.7(4) . 2
C1 C2 C3 N4 178.3(4) . .
Cu1 C2 C3 N4 73.5(4) . .
C17 N4 C3 C2 -39.5(6) . .
C11 N4 C3 C2 131.5(5) . .
C17 N4 C3 C1 140.7(5) . 2
C11 N4 C3 C1 -48.3(7) . 2
C10 N2 C4 C5 1.0(6) . .
C1 N2 C4 C5 172.8(5) . .
N2 C4 C5 C6 -0.3(7) . .
C4 C5 C6 C10 -0.5(7) . .
C4 C5 C6 C7 -178.2(8) . .
C10 C6 C7 C8 0.3(10) . .
C5 C6 C7 C8 177.7(8) . .
C6 C7 C8 C9 0.8(12) . .
C10 N1 C9 C8 0.6(9) . .
Cu1 N1 C9 C8 179.1(6) . .
C7 C8 C9 N1 -1.3(12) . .
C9 N1 C10 N2 -179.8(5) . .
Cu1 N1 C10 N2 1.8(7) . .
C9 N1 C10 C6 0.7(8) . .
Cu1 N1 C10 C6 -177.7(4) . .
C1 N2 C10 N1 7.0(8) . .
C4 N2 C10 N1 179.0(5) . .
C1 N2 C10 C6 -173.4(5) . .
C4 N2 C10 C6 -1.4(6) . .
C7 C6 C10 N1 -1.1(9) . .
C5 C6 C10 N1 -179.2(5) . .
C7 C6 C10 N2 179.3(6) . .
C5 C6 C10 N2 1.2(6) . .
C17 N4 C11 C12 -0.7(6) . .
C3 N4 C11 C12 -172.9(5) . .
N4 C11 C12 C13 0.1(6) . .
C11 C12 C13 C14 -179.2(6) . .
C11 C12 C13 C17 0.5(6) . .
C17 C13 C14 C15 0.4(7) . .
C12 C13 C14 C15 -180.0(6) . .
C13 C14 C15 C16 -0.9(8) . .
C17 N3 C16 C15 0.0(7) . .
Cu1 N3 C16 C15 -171.6(4) . .
C14 C15 C16 N3 0.7(9) . .
C16 N3 C17 N4 -178.8(5) . .
Cu1 N3 C17 N4 -7.7(7) . .
C16 N3 C17 C13 -0.5(7) . .
Cu1 N3 C17 C13 170.6(4) . .
C11 N4 C17 N3 179.5(4) . .
C3 N4 C17 N3 -8.0(7) . .
C11 N4 C17 C13 1.0(5) . .
C3 N4 C17 C13 173.5(4) . .
C14 C13 C17 N3 0.3(7) . .
C12 C13 C17 N3 -179.4(5) . .
C14 C13 C17 N4 178.8(4) . .
C12 C13 C17 N4 -0.9(5) . .
C24 P1 C18 C23 -171.4(6) . .
C31 P1 C18 C23 82.0(6) . .
Cu1 P1 C18 C23 -48.6(6) . .
C24 P1 C18 C19 10.0(6) . .
C31 P1 C18 C19 -96.6(5) . .
Cu1 P1 C18 C19 132.8(5) . .
C23 C18 C19 C20 1.6(10) . .
P1 C18 C19 C20 -179.8(5) . .
C18 C19 C20 C21 -2.4(12) . .
C19 C20 C21 C22 -0.1(14) . .
C20 C21 C22 C23 3.3(16) . .
C19 C18 C23 C22 1.5(13) . .
P1 C18 C23 C22 -177.2(8) . .
C21 C22 C23 C18 -4.0(17) . .
C18 P1 C24 C25 109.2(4) . .
C31 P1 C24 C25 -142.6(4) . .
Cu1 P1 C24 C25 -17.6(5) . .
C18 P1 C24 C29 -70.3(5) . .
C31 P1 C24 C29 37.9(5) . .
Cu1 P1 C24 C29 162.9(4) . .
C29 C24 C25 C26 0.9(8) . .
P1 C24 C25 C26 -178.6(4) . .
C24 C25 C26 C27 0.4(9) . .
C25 C26 C27 C28 -1.1(10) . .
C26 C27 C28 C29 0.4(10) . .
C25 C24 C29 C28 -1.6(9) . .
P1 C24 C29 C28 177.9(5) . .
C27 C28 C29 C24 1.0(10) . .
C18 P1 C31 C32 -6.0(5) . .
C24 P1 C31 C32 -114.6(5) . .
Cu1 P1 C31 C32 124.6(4) . .
C18 P1 C31 C36 173.4(4) . .
C24 P1 C31 C36 64.8(4) . .
Cu1 P1 C31 C36 -56.0(4) . .
C36 C31 C32 C33 -2.0(8) . .
P1 C31 C32 C33 177.3(5) . .
C31 C32 C33 C34 1.5(10) . .
C32 C33 C34 C35 -0.6(10) . .
C33 C34 C35 C36 0.3(9) . .
C34 C35 C36 C31 -0.8(8) . .
C32 C31 C36 C35 1.7(8) . .
P1 C31 C36 C35 -177.7(4) . .
