#------------------------------------------------------------------------------
#$Date: 2015-08-05 21:24:35 +0300 (Wed, 05 Aug 2015) $
#$Revision: 152816 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/36/4343617.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_4343617
loop_
_publ_author_name
'Chen, Kelly'
'Nenzel, Michelle M.'
'Brown, Thomas M.'
'Catalano, Vincent J.'
_publ_section_title
;
 Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene
 Complex.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6900
_journal_page_last               6909
_journal_paper_doi               10.1021/acs.inorgchem.5b00821
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C50 H50 Au Cu2 F18 N14 P3'
_chemical_formula_weight         1605.99
_chemical_name_common            3dot2CH3CN
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 96.4654(15)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.2370(8)
_cell_length_b                   25.546(2)
_cell_length_c                   12.8114(11)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.88
_cell_measurement_theta_min      2.26
_cell_volume                     3003.9(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            57765
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.976
_diffrn_reflns_theta_min         1.594
_exptl_absorpt_coefficient_mu    3.322
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7958
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0270P)²+2.6543P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0607
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6642
_reflns_number_total             7958
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b00821_si_002.cif
_cod_data_source_block           mmn035_0m
_cod_depositor_comments
'Adding full bibliography for 4343616--4343619.cif.'
_cod_database_code               4343617
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.732
_shelx_estimated_absorpt_t_max   0.777
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Au1 Au 0.0000 0.0000 0.0000 0.01995(4) Uani 1 2 d S . P
Cu1 Cu 0.03988(3) 0.10136(2) 0.30089(2) 0.01796(7) Uani 1 1 d . . .
N1 N -0.2995(2) 0.01133(8) -0.12083(15) 0.0194(4) Uani 1 1 d . . .
N2 N -0.2803(2) 0.05772(8) 0.02160(15) 0.0200(4) Uani 1 1 d . . .
N3 N -0.0507(2) -0.02199(8) -0.31016(14) 0.0171(4) Uani 1 1 d . . .
N4 N 0.0119(2) 0.13517(7) 0.15676(14) 0.0172(4) Uani 1 1 d . . .
N5 N -0.1337(2) 0.12201(9) 0.37503(16) 0.0251(5) Uani 1 1 d . . .
N6 N 0.2003(2) 0.13413(8) 0.39827(16) 0.0239(4) Uani 1 1 d . . .
C1 C -0.2066(3) 0.02484(10) -0.03580(18) 0.0207(5) Uani 1 1 d . . .
C2 C -0.4338(3) 0.03579(9) -0.11786(17) 0.0186(5) Uani 1 1 d . . .
C3 C -0.5635(3) 0.03374(10) -0.18510(18) 0.0224(5) Uani 1 1 d . . .
H3 H -0.5728 0.0131 -0.2472 0.027 Uiso 1 1 calc R U .
C4 C -0.6774(3) 0.06335(11) -0.1564(2) 0.0279(6) Uani 1 1 d . . .
H4 H -0.7676 0.0631 -0.2001 0.033 Uiso 1 1 calc R U .
C5 C -0.6642(3) 0.09386(11) -0.0646(2) 0.0284(6) Uani 1 1 d . . .
H5 H -0.7456 0.1137 -0.0480 0.034 Uiso 1 1 calc R U .
C6 C -0.5359(3) 0.09581(11) 0.00223(18) 0.0237(5) Uani 1 1 d . . .
H6 H -0.5265 0.1166 0.0642 0.028 Uiso 1 1 calc R U .
C7 C -0.4215(3) 0.06564(10) -0.02642(18) 0.0198(5) Uani 1 1 d . . .
C8 C -0.2547(3) -0.02093(10) -0.20625(18) 0.0194(5) Uani 1 1 d . . .
H8A H -0.3418 -0.0310 -0.2543 0.023 Uiso 1 1 calc R U .
H8B H -0.2082 -0.0534 -0.1766 0.023 Uiso 1 1 calc R U .
C9 C -0.1492(3) 0.00799(9) -0.26736(17) 0.0179(5) Uani 1 1 d . . .
C10 C -0.1553(3) 0.06191(10) -0.28046(19) 0.0241(5) Uani 1 1 d . . .
H10 H -0.2253 0.0820 -0.2490 0.029 Uiso 1 1 calc R U .
C11 C -0.0582(3) 0.08603(10) -0.3399(2) 0.0275(6) Uani 1 1 d . . .
H11 H -0.0606 0.1229 -0.3500 0.033 Uiso 1 1 calc R U .
C12 C 0.0422(3) 0.05565(11) -0.38432(19) 0.0276(6) Uani 1 1 d . . .
H12 H 0.1099 0.0713 -0.4255 0.033 Uiso 1 1 calc R U .
C13 C 0.0428(3) 0.00225(10) -0.36810(18) 0.0222(5) Uani 1 1 d . . .
H13 H 0.1121 -0.0184 -0.3991 0.027 Uiso 1 1 calc R U .
C14 C -0.2105(3) 0.08507(10) 0.11494(17) 0.0201(5) Uani 1 1 d . . .
H14A H -0.1590 0.0593 0.1636 0.024 Uiso 1 1 calc R U .
H14B H -0.2862 0.1023 0.1519 0.024 Uiso 1 1 calc R U .
C15 C -0.1034(3) 0.12574(9) 0.08539(17) 0.0191(5) Uani 1 1 d . . .
C16 C -0.1245(3) 0.15196(11) -0.01017(19) 0.0257(5) Uani 1 1 d . . .
H16 H -0.2076 0.1446 -0.0586 0.031 Uiso 1 1 calc R U .
C17 C -0.0244(3) 0.18865(12) -0.0341(2) 0.0324(6) Uani 1 1 d . . .
H17 H -0.0368 0.2069 -0.0992 0.039 Uiso 1 1 calc R U .
C18 C 0.0947(3) 0.19837(11) 0.0386(2) 0.0299(6) Uani 1 1 d . . .
H18 H 0.1658 0.2234 0.0240 0.036 Uiso 1 1 calc R U .
C19 C 0.1095(3) 0.17147(10) 0.13266(19) 0.0230(5) Uani 1 1 d . . .
H19 H 0.1913 0.1787 0.1823 0.028 Uiso 1 1 calc R U .
C20 C -0.2241(3) 0.13583(10) 0.4212(2) 0.0262(6) Uani 1 1 d . . .
C21 C -0.3389(4) 0.15325(13) 0.4818(3) 0.0417(8) Uani 1 1 d . . .
H21A H -0.4150 0.1710 0.4352 0.063 Uiso 1 1 calc R U .
H21B H -0.2983 0.1776 0.5365 0.063 Uiso 1 1 calc R U .
H21C H -0.3808 0.1230 0.5144 0.063 Uiso 1 1 calc R U .
C22 C 0.2606(3) 0.14811(11) 0.4754(2) 0.0238(5) Uani 1 1 d . . .
C23 C 0.3334(3) 0.16490(14) 0.5769(2) 0.0376(7) Uani 1 1 d . . .
H23A H 0.3901 0.1966 0.5676 0.056 Uiso 1 1 calc R U .
H23B H 0.3986 0.1371 0.6066 0.056 Uiso 1 1 calc R U .
H23C H 0.2603 0.1723 0.6248 0.056 Uiso 1 1 calc R U .
F1 F -0.4711(3) 0.28833(8) 0.1663(2) 0.0791(8) Uani 1 1 d . . .
F2 F -0.5958(2) 0.23385(9) 0.25951(16) 0.0576(6) Uani 1 1 d . . .
F3 F -0.3548(2) 0.24193(9) 0.29907(19) 0.0682(7) Uani 1 1 d . . .
F4 F -0.4499(3) 0.16776(7) 0.22456(15) 0.0559(6) Uani 1 1 d . . .
F5 F -0.3243(2) 0.22198(9) 0.13094(19) 0.0644(6) Uani 1 1 d . . .
F6 F -0.5667(2) 0.21361(8) 0.09223(14) 0.0494(5) Uani 1 1 d . . .
P1 P -0.46028(8) 0.22862(3) 0.19482(7) 0.03372(17) Uani 1 1 d . . .
C1S C 0.5730(3) 0.20054(11) 0.7969(2) 0.0296(6) Uani 1 1 d . . .
C2S C 0.5000(4) 0.24194(13) 0.8475(3) 0.0442(8) Uani 1 1 d . . .
H2SA H 0.4018 0.2468 0.8111 0.066 Uiso 1 1 calc R U .
H2SB H 0.5554 0.2745 0.8447 0.066 Uiso 1 1 calc R U .
H2SC H 0.4933 0.2325 0.9210 0.066 Uiso 1 1 calc R U .
N1S N 0.6295(3) 0.16813(12) 0.7570(2) 0.0489(7) Uani 1 1 d . . .
F7 F 0.3321(2) 0.01367(9) 0.48972(18) 0.0576(6) Uani 1 1 d . . .
F8 F 0.5208(2) 0.03973(7) 0.40666(12) 0.0429(5) Uani 1 1 d . . .
F9 F 0.4673(2) -0.04586(7) 0.41630(12) 0.0429(5) Uani 1 1 d . . .
P2 P 0.5000 0.0000 0.5000 0.02072(17) Uani 1 2 d S . P
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
C1 Au1 C1 180.0 . 3
N6 Cu1 N5 99.66(9) . .
N6 Cu1 N4 113.42(8) . .
N5 Cu1 N4 106.84(8) . .
N6 Cu1 N3 110.57(8) . 3
N5 Cu1 N3 105.61(9) . 3
N4 Cu1 N3 118.57(7) . 3
C1 N1 C2 110.5(2) . .
C1 N1 C8 122.5(2) . .
C2 N1 C8 126.83(19) . .
C1 N2 C7 110.76(19) . .
C1 N2 C14 122.5(2) . .
C7 N2 C14 126.4(2) . .
C9 N3 C13 117.7(2) . .
C9 N3 Cu1 124.93(16) . 3
C13 N3 Cu1 117.32(17) . 3
C15 N4 C19 117.7(2) . .
C15 N4 Cu1 123.56(16) . .
C19 N4 Cu1 118.65(16) . .
C20 N5 Cu1 174.9(2) . .
C22 N6 Cu1 157.9(2) . .
N2 C1 N1 106.5(2) . .
N2 C1 Au1 126.51(17) . .
N1 C1 Au1 126.99(18) . .
C7 C2 N1 106.3(2) . .
C7 C2 C3 121.6(2) . .
N1 C2 C3 132.2(2) . .
C4 C3 C2 116.3(2) . .
C4 C3 H3 121.9 . .
C2 C3 H3 121.9 . .
C3 C4 C5 122.1(2) . .
C3 C4 H4 119.0 . .
C5 C4 H4 119.0 . .
C6 C5 C4 121.7(2) . .
C6 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
C5 C6 C7 116.1(2) . .
C5 C6 H6 121.9 . .
C7 C6 H6 121.9 . .
C2 C7 N2 106.0(2) . .
C2 C7 C6 122.2(2) . .
N2 C7 C6 131.7(2) . .
N1 C8 C9 111.4(2) . .
N1 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
N1 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
N3 C9 C10 122.2(2) . .
N3 C9 C8 115.9(2) . .
C10 C9 C8 121.9(2) . .
C9 C10 C11 119.2(3) . .
C9 C10 H10 120.4 . .
C11 C10 H10 120.4 . .
C12 C11 C10 118.9(2) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C11 C12 C13 119.0(2) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
N3 C13 C12 123.0(2) . .
N3 C13 H13 118.5 . .
C12 C13 H13 118.5 . .
N2 C14 C15 111.24(19) . .
N2 C14 H14A 109.4 . .
C15 C14 H14A 109.4 . .
N2 C14 H14B 109.4 . .
C15 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
N4 C15 C16 122.3(2) . .
N4 C15 C14 116.3(2) . .
C16 C15 C14 121.4(2) . .
C17 C16 C15 119.6(2) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C18 118.5(2) . .
C16 C17 H17 120.8 . .
C18 C17 H17 120.8 . .
C19 C18 C17 119.5(3) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
N4 C19 C18 122.5(2) . .
N4 C19 H19 118.8 . .
C18 C19 H19 118.8 . .
N5 C20 C21 179.2(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N6 C22 C23 177.5(3) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
F1 P1 F2 90.39(13) . .
F1 P1 F5 90.96(13) . .
F2 P1 F5 178.65(14) . .
F1 P1 F6 91.40(14) . .
F2 P1 F6 90.08(11) . .
F5 P1 F6 89.96(12) . .
F1 P1 F3 90.26(15) . .
F2 P1 F3 89.32(12) . .
F5 P1 F3 90.60(13) . .
F6 P1 F3 178.23(14) . .
F1 P1 F4 179.64(14) . .
F2 P1 F4 89.26(13) . .
F5 P1 F4 89.39(12) . .
F6 P1 F4 88.71(11) . .
F3 P1 F4 89.62(12) . .
N1S C1S C2S 179.7(3) . .
C1S C2S H2SA 109.5 . .
C1S C2S H2SB 109.5 . .
H2SA C2S H2SB 109.5 . .
C1S C2S H2SC 109.5 . .
H2SA C2S H2SC 109.5 . .
H2SB C2S H2SC 109.5 . .
F7 P2 F7 180.0 . 3_656
F7 P2 F9 90.20(11) . 3_656
F7 P2 F9 89.80(11) 3_656 3_656
F7 P2 F9 89.80(11) . .
F7 P2 F9 90.20(11) 3_656 .
F9 P2 F9 180.0 3_656 .
F7 P2 F8 90.20(11) . 3_656
F7 P2 F8 89.80(11) 3_656 3_656
F9 P2 F8 89.60(9) 3_656 3_656
F9 P2 F8 90.40(9) . 3_656
F7 P2 F8 89.80(11) . .
F7 P2 F8 90.20(11) 3_656 .
F9 P2 F8 90.40(9) 3_656 .
F9 P2 F8 89.60(9) . .
F8 P2 F8 180.0 3_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.014(2) .
Au1 C1 2.014(2) 3
Cu1 N6 2.009(2) .
Cu1 N5 2.023(2) .
Cu1 N4 2.0285(19) .
Cu1 N3 2.033(2) 3
N1 C1 1.354(3) .
N1 C2 1.393(3) .
N1 C8 1.466(3) .
N2 C1 1.350(3) .
N2 C7 1.393(3) .
N2 C14 1.470(3) .
N3 C9 1.351(3) .
N3 C13 1.351(3) .
N3 Cu1 2.033(2) 3
N4 C15 1.345(3) .
N4 C19 1.353(3) .
N5 C20 1.133(3) .
N6 C22 1.136(3) .
C2 C7 1.392(3) .
C2 C3 1.396(3) .
C3 C4 1.379(4) .
C3 H3 0.9500 .
C4 C5 1.404(4) .
C4 H4 0.9500 .
C5 C6 1.383(3) .
C5 H5 0.9500 .
C6 C7 1.390(3) .
C6 H6 0.9500 .
C8 C9 1.510(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.388(3) .
C10 C11 1.385(4) .
C10 H10 0.9500 .
C11 C12 1.380(4) .
C11 H11 0.9500 .
C12 C13 1.380(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.512(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.390(3) .
C16 C17 1.376(4) .
C16 H16 0.9500 .
C17 C18 1.381(4) .
C17 H17 0.9500 .
C18 C19 1.381(3) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.452(4) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.460(3) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
F1 P1 1.569(2) .
F2 P1 1.583(2) .
F3 P1 1.599(2) .
F4 P1 1.601(2) .
F5 P1 1.583(2) .
F6 P1 1.597(2) .
C1S N1S 1.131(4) .
C1S C2S 1.446(4) .
C2S H2SA 0.9800 .
C2S H2SB 0.9800 .
C2S H2SC 0.9800 .
F7 P2 1.5805(18) .
F8 P2 1.5963(16) .
F9 P2 1.5941(16) .
P2 F7 1.5806(18) 3_656
P2 F9 1.5940(16) 3_656
P2 F8 1.5963(16) 3_656
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
C7 N2 C1 N1 -0.1(3) .
C14 N2 C1 N1 -173.6(2) .
C7 N2 C1 Au1 -179.13(18) .
C14 N2 C1 Au1 7.3(3) .
C2 N1 C1 N2 0.0(3) .
C8 N1 C1 N2 175.0(2) .
C2 N1 C1 Au1 179.06(18) .
C8 N1 C1 Au1 -5.9(3) .
C1 N1 C2 C7 0.0(3) .
C8 N1 C2 C7 -174.7(2) .
C1 N1 C2 C3 -178.7(3) .
C8 N1 C2 C3 6.6(4) .
C7 C2 C3 C4 0.7(4) .
N1 C2 C3 C4 179.3(3) .
C2 C3 C4 C5 -0.1(4) .
C3 C4 C5 C6 -0.1(4) .
C4 C5 C6 C7 -0.4(4) .
N1 C2 C7 N2 -0.1(3) .
C3 C2 C7 N2 178.8(2) .
N1 C2 C7 C6 179.8(2) .
C3 C2 C7 C6 -1.3(4) .
C1 N2 C7 C2 0.1(3) .
C14 N2 C7 C2 173.4(2) .
C1 N2 C7 C6 -179.8(3) .
C14 N2 C7 C6 -6.5(4) .
C5 C6 C7 C2 1.0(4) .
C5 C6 C7 N2 -179.1(3) .
C1 N1 C8 C9 -68.2(3) .
C2 N1 C8 C9 105.9(3) .
C13 N3 C9 C10 -0.6(3) .
Cu1 N3 C9 C10 -176.98(17) 3
C13 N3 C9 C8 178.06(19) .
Cu1 N3 C9 C8 1.7(3) 3
N1 C8 C9 N3 149.5(2) .
N1 C8 C9 C10 -31.9(3) .
N3 C9 C10 C11 0.5(3) .
C8 C9 C10 C11 -178.1(2) .
C9 C10 C11 C12 -0.1(4) .
C10 C11 C12 C13 0.0(4) .
C9 N3 C13 C12 0.5(3) .
Cu1 N3 C13 C12 177.10(18) 3
C11 C12 C13 N3 -0.1(4) .
C1 N2 C14 C15 68.5(3) .
C7 N2 C14 C15 -104.0(3) .
C19 N4 C15 C16 -0.3(3) .
Cu1 N4 C15 C16 175.78(18) .
C19 N4 C15 C14 -179.8(2) .
Cu1 N4 C15 C14 -3.8(3) .
N2 C14 C15 N4 -149.4(2) .
N2 C14 C15 C16 31.1(3) .
N4 C15 C16 C17 0.6(4) .
C14 C15 C16 C17 -179.9(2) .
C15 C16 C17 C18 -0.2(4) .
C16 C17 C18 C19 -0.3(4) .
C15 N4 C19 C18 -0.3(4) .
Cu1 N4 C19 C18 -176.6(2) .
C17 C18 C19 N4 0.6(4) .
