#------------------------------------------------------------------------------
#$Date: 2022-01-12 13:12:16 +0200 (Wed, 12 Jan 2022) $
#$Revision: 272004 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/59/1565970.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_1565970
loop_
_publ_author_name
'Zheng, Dan'
'Huang, Ting-Hong'
'Luo, Cheng'
'Tang, Jing'
_publ_section_title
;
 Structural characterization, DFT studies and luminescent properties of
 dinuclear copper(I)-diimine complexes with the S-shape configurations
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              120639
_journal_paper_doi               10.1016/j.ica.2021.120639
_journal_volume                  529
_journal_year                    2022
_chemical_formula_moiety         'C76 H68 Cu2 N4 P4, 2(B F4)'
_chemical_formula_sum            'C76 H68 B2 Cu2 F8 N4 P4'
_chemical_formula_weight         1461.92
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                92.486(2)
_cell_angle_beta                 109.632(2)
_cell_angle_gamma                101.325(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0470(8)
_cell_length_b                   13.7944(11)
_cell_length_c                   14.3988(11)
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.95
_cell_volume                     1830.0(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            39212
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.618
_diffrn_reflns_theta_min         2.946
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.733
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0668 before and 0.0505 after correction.
The Ratio of minimum to maximum transmission is 0.8825.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      .
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.108
_refine_diff_density_max         1.166
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0548
_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)+(0.0942P)²+1.4578P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1534
_refine_ls_wR_factor_ref         0.1667
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6469
_reflns_number_total             8476
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            1-complex2.cif
_cod_data_source_block           2
_cod_database_code               1565970
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
 C33(H33), C34(H34), C37(H37), C38(H38)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.06296(4) 0.26576(2) 0.20499(2) 0.03601(13) Uani 1 1 d . . . . .
P1 P 0.20931(9) 0.25023(6) 0.35765(6) 0.03839(19) Uani 1 1 d . . . . .
P2 P -0.15226(8) 0.23577(5) 0.22517(5) 0.03524(18) Uani 1 1 d . . . . .
N1 N 0.1082(3) 0.40339(18) 0.15463(18) 0.0400(6) Uani 1 1 d . . . . .
N2 N 0.1067(3) 0.22306(17) 0.08118(17) 0.0354(5) Uani 1 1 d . . . . .
C1 C 0.4029(4) 0.3088(3) 0.4064(3) 0.0495(8) Uani 1 1 d . . . . .
C2 C 0.4547(5) 0.3884(3) 0.3652(4) 0.0711(11) Uani 1 1 d . . . . .
H2 H 0.3924 0.4093 0.3099 0.085 Uiso 1 1 calc R U . . .
C3 C 0.6000(5) 0.4385(4) 0.4051(5) 0.0882(15) Uani 1 1 d . . . . .
H3 H 0.6333 0.4938 0.3776 0.106 Uiso 1 1 calc R U . . .
C4 C 0.6925(5) 0.4067(4) 0.4836(5) 0.0853(16) Uani 1 1 d . . . . .
H4 H 0.7895 0.4401 0.5095 0.102 Uiso 1 1 calc R U . . .
C5 C 0.6459(5) 0.3277(4) 0.5243(5) 0.0961(18) Uani 1 1 d . . . . .
H5 H 0.7101 0.3065 0.5784 0.115 Uiso 1 1 calc R U . . .
C6 C 0.5011(5) 0.2775(4) 0.4855(4) 0.0839(15) Uani 1 1 d . . . . .
H6 H 0.4697 0.2219 0.5133 0.101 Uiso 1 1 calc R U . . .
C7 C 0.2014(3) 0.1218(2) 0.3830(2) 0.0437(7) Uani 1 1 d . . . . .
C8 C 0.1801(4) 0.0861(3) 0.4670(3) 0.0583(9) Uani 1 1 d . . . . .
H8 H 0.1746 0.1296 0.5160 0.070 Uiso 1 1 calc R U . . .
C9 C 0.1672(5) -0.0143(3) 0.4777(4) 0.0744(12) Uani 1 1 d . . . . .
H9 H 0.1531 -0.0376 0.5341 0.089 Uiso 1 1 calc R U . . .
C10 C 0.1747(6) -0.0788(3) 0.4071(4) 0.0830(14) Uani 1 1 d . . . . .
H10 H 0.1643 -0.1462 0.4146 0.100 Uiso 1 1 calc R U . . .
C11 C 0.1978(6) -0.0447(3) 0.3240(4) 0.0812(14) Uani 1 1 d . . . . .
H11 H 0.2050 -0.0887 0.2761 0.097 Uiso 1 1 calc R U . . .
C12 C 0.2104(5) 0.0551(3) 0.3121(3) 0.0630(10) Uani 1 1 d . . . . .
H12 H 0.2251 0.0778 0.2556 0.076 Uiso 1 1 calc R U . . .
C13 C 0.1463(4) 0.3082(2) 0.4476(2) 0.0466(7) Uani 1 1 d . . . . .
H13A H 0.2026 0.2957 0.5135 0.056 Uiso 1 1 calc R U . . .
H13B H 0.1674 0.3796 0.4457 0.056 Uiso 1 1 calc R U . . .
C14 C -0.0147(4) 0.2738(3) 0.4331(2) 0.0481(8) Uani 1 1 d . . . . .
H14A H -0.0290 0.2978 0.4926 0.058 Uiso 1 1 calc R U . . .
H14B H -0.0387 0.2017 0.4268 0.058 Uiso 1 1 calc R U . . .
C15 C -0.1219(4) 0.3074(3) 0.3435(2) 0.0457(7) Uani 1 1 d . . . . .
H15A H -0.0855 0.3771 0.3401 0.055 Uiso 1 1 calc R U . . .
H15B H -0.2139 0.3011 0.3534 0.055 Uiso 1 1 calc R U . . .
C16 C -0.2352(3) 0.1105(2) 0.2404(2) 0.0451(7) Uani 1 1 d . . . . .
C17 C -0.1705(5) 0.0325(3) 0.2310(3) 0.0591(9) Uani 1 1 d . . . . .
H17 H -0.0873 0.0435 0.2144 0.071 Uiso 1 1 calc R U . . .
C18 C -0.2308(7) -0.0627(3) 0.2467(3) 0.0827(15) Uani 1 1 d . . . . .
H18 H -0.1871 -0.1149 0.2404 0.099 Uiso 1 1 calc R U . . .
C19 C -0.3506(7) -0.0803(4) 0.2707(4) 0.0965(19) Uani 1 1 d . . . . .
H19 H -0.3888 -0.1440 0.2815 0.116 Uiso 1 1 calc R U . . .
C20 C -0.4166(6) -0.0040(5) 0.2792(4) 0.0953(18) Uani 1 1 d . . . . .
H20 H -0.5001 -0.0165 0.2954 0.114 Uiso 1 1 calc R U . . .
C21 C -0.3602(4) 0.0914(3) 0.2638(3) 0.0687(11) Uani 1 1 d . . . . .
H21 H -0.4062 0.1426 0.2692 0.082 Uiso 1 1 calc R U . . .
C22 C -0.3044(3) 0.2747(2) 0.1368(2) 0.0408(7) Uani 1 1 d . . . . .
C23 C -0.3866(4) 0.2130(3) 0.0489(3) 0.0529(8) Uani 1 1 d . . . . .
H23 H -0.3694 0.1503 0.0387 0.063 Uiso 1 1 calc R U . . .
C24 C -0.4950(4) 0.2454(4) -0.0237(3) 0.0680(11) Uani 1 1 d . . . . .
H24 H -0.5483 0.2045 -0.0829 0.082 Uiso 1 1 calc R U . . .
C25 C -0.5240(4) 0.3370(4) -0.0088(3) 0.0690(12) Uani 1 1 d . . . . .
H25 H -0.5964 0.3581 -0.0576 0.083 Uiso 1 1 calc R U . . .
C26 C -0.4464(5) 0.3959(3) 0.0773(4) 0.0722(12) Uani 1 1 d . . . . .
H26 H -0.4671 0.4574 0.0878 0.087 Uiso 1 1 calc R U . . .
C27 C -0.3359(4) 0.3666(3) 0.1508(3) 0.0589(9) Uani 1 1 d . . . . .
H27 H -0.2832 0.4086 0.2093 0.071 Uiso 1 1 calc R U . . .
C28 C 0.1088(4) 0.4943(2) 0.1916(3) 0.0542(9) Uani 1 1 d . . . . .
H28 H 0.0800 0.5006 0.2462 0.065 Uiso 1 1 calc R U . . .
C29 C 0.1510(5) 0.5797(3) 0.1514(3) 0.0667(11) Uani 1 1 d . . . . .
H29 H 0.1506 0.6418 0.1789 0.080 Uiso 1 1 calc R U . . .
C30 C 0.1929(5) 0.5716(3) 0.0715(4) 0.0673(11) Uani 1 1 d . . . . .
H30 H 0.2230 0.6283 0.0445 0.081 Uiso 1 1 calc R U . . .
C31 C 0.1903(4) 0.4789(3) 0.0308(3) 0.0561(9) Uani 1 1 d . . . . .
H31 H 0.2164 0.4717 -0.0249 0.067 Uiso 1 1 calc R U . . .
C32 C 0.1481(3) 0.3965(2) 0.0745(2) 0.0408(7) Uani 1 1 d . . . . .
C33 C 0.1459(3) 0.2958(2) 0.0375(2) 0.0425(7) Uani 1 1 d . . . . .
H33 H 0.1727 0.2849 -0.0173 0.051 Uiso 1 1 calc R U . . .
C34 C -0.1488(3) 0.0671(2) -0.0125(2) 0.0454(7) Uani 1 1 d . . . . .
H34 H -0.1602 0.1313 -0.0009 0.054 Uiso 1 1 calc R U . . .
C35 C -0.0081(3) 0.0495(2) 0.0097(2) 0.0343(6) Uani 1 1 d . . . . .
C36 C 0.1191(3) 0.1256(2) 0.0511(2) 0.0372(6) Uani 1 1 d . . . . .
C37 C 0.2531(3) 0.1068(3) 0.0699(3) 0.0481(8) Uani 1 1 d . . . . .
H37 H 0.3351 0.1584 0.0955 0.058 Uiso 1 1 calc R U . . .
C38 C 0.2678(4) 0.0093(3) 0.0509(3) 0.0536(9) Uani 1 1 d . . . . .
H38 H 0.3598 -0.0031 0.0647 0.064 Uiso 1 1 calc R U . . .
F1 F 0.8328(6) 0.7164(3) 0.3180(3) 0.1467(18) Uani 1 1 d . . . . .
F2 F 0.9258(8) 0.5833(5) 0.3280(3) 0.206(3) Uani 1 1 d . . . . .
F3 F 1.0094(9) 0.6993(6) 0.2832(9) 0.330(6) Uani 1 1 d . . . . .
F4 F 0.8208(6) 0.6177(5) 0.1831(3) 0.187(2) Uani 1 1 d . . . . .
B1 B 0.8783(6) 0.6526(4) 0.2737(4) 0.0677(12) 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'
Cu Cu 0.3201 1.2651 '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'
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'
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
P2 Cu1 P1 100.65(3) . .
N1 Cu1 P1 115.70(7) . .
N1 Cu1 P2 111.97(8) . .
N2 Cu1 P1 120.69(7) . .
N2 Cu1 P2 127.35(7) . .
N2 Cu1 N1 79.67(10) . .
C1 P1 Cu1 122.83(12) . .
C1 P1 C13 101.13(16) . .
C7 P1 Cu1 113.47(11) . .
C7 P1 C1 104.28(15) . .
C7 P1 C13 105.69(16) . .
C13 P1 Cu1 107.67(11) . .
C15 P2 Cu1 105.51(12) . .
C16 P2 Cu1 120.11(11) . .
C16 P2 C15 102.97(16) . .
C16 P2 C22 102.32(14) . .
C22 P2 Cu1 119.56(10) . .
C22 P2 C15 104.21(15) . .
C28 N1 Cu1 130.2(2) . .
C28 N1 C32 117.5(3) . .
C32 N1 Cu1 112.2(2) . .
C33 N2 Cu1 113.6(2) . .
C33 N2 C36 118.8(2) . .
C36 N2 Cu1 126.77(19) . .
C2 C1 P1 119.6(3) . .
C2 C1 C6 117.5(4) . .
C6 C1 P1 122.9(3) . .
C1 C2 H2 119.6 . .
C1 C2 C3 120.7(5) . .
C3 C2 H2 119.6 . .
C2 C3 H3 120.0 . .
C4 C3 C2 120.1(5) . .
C4 C3 H3 119.9 . .
C3 C4 H4 119.7 . .
C5 C4 C3 120.6(4) . .
C5 C4 H4 119.7 . .
C4 C5 H5 120.1 . .
C4 C5 C6 119.8(5) . .
C6 C5 H5 120.1 . .
C1 C6 C5 121.2(5) . .
C1 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C8 C7 P1 123.8(3) . .
C12 C7 P1 117.7(3) . .
C12 C7 C8 118.4(3) . .
C7 C8 H8 120.0 . .
C9 C8 C7 120.1(4) . .
C9 C8 H8 120.0 . .
C8 C9 H9 119.6 . .
C10 C9 C8 120.8(4) . .
C10 C9 H9 119.6 . .
C9 C10 H10 120.0 . .
C9 C10 C11 120.0(4) . .
C11 C10 H10 120.0 . .
C10 C11 H11 120.1 . .
C10 C11 C12 119.9(4) . .
C12 C11 H11 120.1 . .
C7 C12 C11 120.9(4) . .
C7 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
P1 C13 H13A 108.1 . .
P1 C13 H13B 108.1 . .
H13A C13 H13B 107.3 . .
C14 C13 P1 116.6(2) . .
C14 C13 H13A 108.1 . .
C14 C13 H13B 108.1 . .
C13 C14 H14A 108.2 . .
C13 C14 H14B 108.2 . .
C13 C14 C15 116.3(3) . .
H14A C14 H14B 107.4 . .
C15 C14 H14A 108.2 . .
C15 C14 H14B 108.2 . .
P2 C15 H15A 108.9 . .
P2 C15 H15B 108.9 . .
C14 C15 P2 113.5(2) . .
C14 C15 H15A 108.9 . .
C14 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
C17 C16 P2 119.6(3) . .
C21 C16 P2 121.6(3) . .
C21 C16 C17 118.8(3) . .
C16 C17 H17 120.2 . .
C16 C17 C18 119.6(4) . .
C18 C17 H17 120.2 . .
C17 C18 H18 119.4 . .
C19 C18 C17 121.2(5) . .
C19 C18 H18 119.4 . .
C18 C19 H19 120.1 . .
C18 C19 C20 119.9(5) . .
C20 C19 H19 120.1 . .
C19 C20 H20 119.7 . .
C19 C20 C21 120.6(5) . .
C21 C20 H20 119.7 . .
C16 C21 H21 120.0 . .
C20 C21 C16 119.9(5) . .
C20 C21 H21 120.0 . .
C23 C22 P2 118.9(3) . .
C27 C22 P2 122.4(3) . .
C27 C22 C23 118.5(3) . .
C22 C23 H23 120.1 . .
C22 C23 C24 119.8(4) . .
C24 C23 H23 120.1 . .
C23 C24 H24 119.6 . .
C25 C24 C23 120.8(4) . .
C25 C24 H24 119.6 . .
C24 C25 H25 120.3 . .
C26 C25 C24 119.3(4) . .
C26 C25 H25 120.3 . .
C25 C26 H26 119.3 . .
C25 C26 C27 121.4(4) . .
C27 C26 H26 119.3 . .
C22 C27 C26 120.1(4) . .
C22 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
N1 C28 H28 118.8 . .
N1 C28 C29 122.3(3) . .
C29 C28 H28 118.8 . .
C28 C29 H29 120.3 . .
C30 C29 C28 119.5(4) . .
C30 C29 H29 120.3 . .
C29 C30 H30 120.3 . .
C29 C30 C31 119.4(3) . .
C31 C30 H30 120.3 . .
C30 C31 H31 120.7 . .
C30 C31 C32 118.6(3) . .
C32 C31 H31 120.7 . .
N1 C32 C31 122.7(3) . .
N1 C32 C33 115.2(3) . .
C31 C32 C33 122.1(3) . .
N2 C33 C32 119.1(3) . .
N2 C33 H33 120.4 . .
C32 C33 H33 120.4 . .
C35 C34 H34 119.8 . .
C38 C34 H34 119.8 2 .
C38 C34 C35 120.4(3) 2 .
C34 C35 C35 119.3(3) . 2
C34 C35 C36 122.8(3) . .
C36 C35 C35 117.9(3) . 2
C35 C36 N2 119.0(2) . .
C37 C36 N2 119.3(3) . .
C37 C36 C35 121.5(3) . .
C36 C37 H37 119.9 . .
C36 C37 C38 120.1(3) . .
C38 C37 H37 119.9 . .
C34 C38 C37 120.7(3) 2 .
C34 C38 H38 119.6 2 .
C37 C38 H38 119.6 . .
F1 B1 F2 114.6(5) . .
F1 B1 F3 103.6(5) . .
F3 B1 F2 92.6(7) . .
F4 B1 F1 125.2(5) . .
F4 B1 F2 110.1(5) . .
F4 B1 F3 104.3(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P1 2.2433(9) .
Cu1 P2 2.2389(8) .
Cu1 N1 2.083(2) .
Cu1 N2 2.063(2) .
P1 C1 1.829(3) .
P1 C7 1.816(3) .
P1 C13 1.838(3) .
P2 C15 1.833(3) .
P2 C16 1.821(3) .
P2 C22 1.822(3) .
N1 C28 1.340(4) .
N1 C32 1.349(4) .
N2 C33 1.274(4) .
N2 C36 1.436(4) .
C1 C2 1.366(5) .
C1 C6 1.383(6) .
C2 H2 0.9300 .
C2 C3 1.394(6) .
C3 H3 0.9300 .
C3 C4 1.353(8) .
C4 H4 0.9300 .
C4 C5 1.338(8) .
C5 H5 0.9300 .
C5 C6 1.390(7) .
C6 H6 0.9300 .
C7 C8 1.392(5) .
C7 C12 1.381(5) .
C8 H8 0.9300 .
C8 C9 1.385(5) .
C9 H9 0.9300 .
C9 C10 1.354(7) .
C10 H10 0.9300 .
C10 C11 1.378(7) .
C11 H11 0.9300 .
C11 C12 1.381(6) .
C12 H12 0.9300 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 C14 1.532(5) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 C15 1.533(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.387(5) .
C16 C21 1.386(5) .
C17 H17 0.9300 .
C17 C18 1.395(6) .
C18 H18 0.9300 .
C18 C19 1.341(8) .
C19 H19 0.9300 .
C19 C20 1.371(8) .
C20 H20 0.9300 .
C20 C21 1.386(7) .
C21 H21 0.9300 .
C22 C23 1.392(5) .
C22 C27 1.387(5) .
C23 H23 0.9300 .
C23 C24 1.394(5) .
C24 H24 0.9300 .
C24 C25 1.375(6) .
C25 H25 0.9300 .
C25 C26 1.349(7) .
C26 H26 0.9300 .
C26 C27 1.393(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C28 C29 1.389(5) .
C29 H29 0.9300 .
C29 C30 1.359(6) .
C30 H30 0.9300 .
C30 C31 1.376(5) .
C31 H31 0.9300 .
C31 C32 1.386(4) .
C32 C33 1.459(4) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C34 C35 1.413(4) .
C34 C38 1.363(5) 2
C35 C35 1.433(5) 2
C35 C36 1.414(4) .
C36 C37 1.361(4) .
C37 H37 0.9300 .
C37 C38 1.406(5) .
C38 C34 1.363(5) 2
C38 H38 0.9300 .
F1 B1 1.302(6) .
F2 B1 1.320(7) .
F3 B1 1.307(8) .
F4 B1 1.265(6) .
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
Cu1 P1 C1 C2 21.0(4) . . . .
Cu1 P1 C1 C6 -160.3(3) . . . .
Cu1 P1 C7 C8 -129.4(3) . . . .
Cu1 P1 C7 C12 47.5(3) . . . .
Cu1 P1 C13 C14 52.2(3) . . . .
Cu1 P2 C15 C14 -63.0(3) . . . .
Cu1 P2 C16 C17 -5.4(3) . . . .
Cu1 P2 C16 C21 172.9(3) . . . .
Cu1 P2 C22 C23 83.9(3) . . . .
Cu1 P2 C22 C27 -91.9(3) . . . .
Cu1 N1 C28 C29 175.8(3) . . . .
Cu1 N1 C32 C31 -176.8(3) . . . .
Cu1 N1 C32 C33 2.4(3) . . . .
Cu1 N2 C33 C32 -3.1(4) . . . .
Cu1 N2 C36 C35 74.1(3) . . . .
Cu1 N2 C36 C37 -100.9(3) . . . .
P1 C1 C2 C3 175.8(4) . . . .
P1 C1 C6 C5 -176.0(4) . . . .
P1 C7 C8 C9 176.3(3) . . . .
P1 C7 C12 C11 -176.7(4) . . . .
P1 C13 C14 C15 -70.9(3) . . . .
P2 C16 C17 C18 177.4(3) . . . .
P2 C16 C21 C20 -177.1(3) . . . .
P2 C22 C23 C24 -174.1(3) . . . .
P2 C22 C27 C26 174.9(3) . . . .
N1 C28 C29 C30 0.2(7) . . . .
N1 C32 C33 N2 0.5(4) . . . .
N2 C36 C37 C38 173.1(3) . . . .
C1 P1 C7 C8 94.5(3) . . . .
C1 P1 C7 C12 -88.6(3) . . . .
C1 P1 C13 C14 -177.9(3) . . . .
C1 C2 C3 C4 2.0(8) . . . .
C2 C1 C6 C5 2.7(8) . . . .
C2 C3 C4 C5 -0.5(8) . . . .
C3 C4 C5 C6 0.2(8) . . . .
C4 C5 C6 C1 -1.3(9) . . . .
C6 C1 C2 C3 -3.0(7) . . . .
C7 P1 C1 C2 151.8(3) . . . .
C7 P1 C1 C6 -29.5(4) . . . .
C7 P1 C13 C14 -69.4(3) . . . .
C7 C8 C9 C10 -0.1(7) . . . .
C8 C7 C12 C11 0.3(6) . . . .
C8 C9 C10 C11 1.0(8) . . . .
C9 C10 C11 C12 -1.3(8) . . . .
C10 C11 C12 C7 0.6(7) . . . .
C12 C7 C8 C9 -0.6(6) . . . .
C13 P1 C1 C2 -98.6(3) . . . .
C13 P1 C1 C6 80.0(4) . . . .
C13 P1 C7 C8 -11.7(3) . . . .
C13 P1 C7 C12 165.2(3) . . . .
C13 C14 C15 P2 77.2(3) . . . .
C15 P2 C16 C17 -122.2(3) . . . .
C15 P2 C16 C21 56.1(3) . . . .
C15 P2 C22 C23 -158.6(3) . . . .
C15 P2 C22 C27 25.6(3) . . . .
C16 P2 C15 C14 63.7(3) . . . .
C16 P2 C22 C23 -51.6(3) . . . .
C16 P2 C22 C27 132.6(3) . . . .
C16 C17 C18 C19 0.0(6) . . . .
C17 C16 C21 C20 1.2(6) . . . .
C17 C18 C19 C20 0.6(8) . . . .
C18 C19 C20 C21 -0.4(8) . . . .
C19 C20 C21 C16 -0.5(8) . . . .
C21 C16 C17 C18 -0.9(5) . . . .
C22 P2 C15 C14 170.2(2) . . . .
C22 P2 C16 C17 129.9(3) . . . .
C22 P2 C16 C21 -51.9(3) . . . .
C22 C23 C24 C25 -1.4(6) . . . .
C23 C22 C27 C26 -0.9(5) . . . .
C23 C24 C25 C26 0.0(6) . . . .
C24 C25 C26 C27 1.1(7) . . . .
C25 C26 C27 C22 -0.6(7) . . . .
C27 C22 C23 C24 1.9(5) . . . .
C28 N1 C32 C31 0.7(5) . . . .
C28 N1 C32 C33 179.8(3) . . . .
C28 C29 C30 C31 1.1(7) . . . .
C29 C30 C31 C32 -1.5(6) . . . .
C30 C31 C32 N1 0.6(5) . . . .
C30 C31 C32 C33 -178.4(3) . . . .
C31 C32 C33 N2 179.6(3) . . . .
C32 N1 C28 C29 -1.1(6) . . . .
C33 N2 C36 C35 -116.8(3) . . . .
C33 N2 C36 C37 68.2(4) . . . .
C34 C35 C36 N2 6.4(4) . . . .
C34 C35 C36 C37 -178.7(3) . . . .
C35 C35 C36 N2 -173.3(3) 2 . . .
C35 C35 C36 C37 1.6(5) 2 . . .
C35 C36 C37 C38 -1.8(5) . . . .
C36 N2 C33 C32 -173.6(3) . . . .
C36 C37 C38 C34 0.7(6) . . . 2
C38 C34 C35 C35 0.7(5) 2 . . 2
C38 C34 C35 C36 -178.9(3) 2 . . .
