#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:49:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179865 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/61/7016148.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_7016148
loop_
_publ_author_name
'Hou, Ruobing'
'Huang, Ting-Hong'
'Wang, Xiu-Jian'
'Jiang, Xuan-Feng'
'Ni, Qing-Ling'
'Gui, Liu-Cheng'
'Fan, You-Jun'
'Tan, Yi-Liang'
_publ_section_title
;
 Synthesis, structural characterization and luminescent properties of a
 series of Cu(i) complexes based on polyphosphine ligands.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7551
_journal_page_last               7558
_journal_paper_doi               10.1039/c1dt10358j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C86 H76 B2 Cu2 F8 N6 P4'
_chemical_formula_weight         1618.11
_chemical_name_systematic
;
?
;
_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                 100.396(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.469(3)
_cell_length_b                   20.695(5)
_cell_length_c                   20.233(5)
_cell_measurement_reflns_used    2925
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      52.24
_cell_measurement_theta_min      2.82
_cell_volume                     3899.8(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 17.22
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.1315
_diffrn_reflns_av_sigmaI/netI    0.1933
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16850
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       yellow
_exptl_crystal_F_000             1668
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.734
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.837
_refine_ls_R_factor_all          0.1718
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0707P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1609
_reflns_number_gt                2928
_reflns_number_total             6822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10358j.txt
_cod_data_source_block           2b
_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        3899.6(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7016148
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_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 0.45708(8) 0.45165(3) 0.77084(3) 0.0274(2) Uani 1 1 d . . .
P1 P 0.21834(17) 0.46561(7) 0.75458(7) 0.0259(4) Uani 1 1 d . . .
P2 P 0.50071(16) 0.45820(8) 0.66565(7) 0.0265(4) Uani 1 1 d . . .
N1 N 0.2094(5) 0.4722(2) 0.6161(2) 0.0231(12) Uani 1 1 d . . .
N2 N 0.5228(5) 0.3688(2) 0.8262(2) 0.0299(12) Uani 1 1 d . . .
N3 N 0.5860(5) 0.4946(3) 0.8508(2) 0.0330(13) Uani 1 1 d . . .
C1 C 0.1046(6) 0.4859(3) 0.5564(2) 0.0186(13) Uani 1 1 d . . .
C2 C 0.0074(6) 0.5348(3) 0.5583(3) 0.0261(14) Uani 1 1 d . . .
H2A H 0.0128 0.5596 0.5982 0.031 Uiso 1 1 calc R . .
C3 C 0.0985(6) 0.4511(3) 0.4965(2) 0.0239(13) Uani 1 1 d . . .
H3A H 0.1665 0.4180 0.4936 0.029 Uiso 1 1 calc R . .
C4 C 0.1379(6) 0.4427(3) 0.6680(2) 0.0276(14) Uani 1 1 d . . .
H4A H 0.1418 0.3951 0.6639 0.033 Uiso 1 1 calc R . .
H4B H 0.0355 0.4556 0.6594 0.033 Uiso 1 1 calc R . .
C5 C 0.1261(6) 0.4112(3) 0.8027(3) 0.0256(14) Uani 1 1 d . . .
C6 C 0.2003(7) 0.3887(3) 0.8637(3) 0.0356(16) Uani 1 1 d . . .
H6A H 0.2920 0.4062 0.8814 0.043 Uiso 1 1 calc R . .
C7 C 0.1430(7) 0.3410(3) 0.8994(3) 0.0422(18) Uani 1 1 d . . .
H7A H 0.1955 0.3264 0.9412 0.051 Uiso 1 1 calc R . .
C8 C 0.0122(8) 0.3152(3) 0.8746(3) 0.050(2) Uani 1 1 d . . .
H8A H -0.0254 0.2814 0.8981 0.060 Uiso 1 1 calc R . .
C9 C -0.0661(8) 0.3385(3) 0.8148(3) 0.055(2) Uani 1 1 d . . .
H9A H -0.1593 0.3219 0.7982 0.066 Uiso 1 1 calc R . .
C10 C -0.0100(7) 0.3850(3) 0.7797(3) 0.0378(17) Uani 1 1 d . . .
H10A H -0.0646 0.4001 0.7386 0.045 Uiso 1 1 calc R . .
C11 C 0.1416(6) 0.5456(3) 0.7632(3) 0.0306(15) Uani 1 1 d . . .
C12 C 0.0526(7) 0.5587(3) 0.8085(3) 0.0411(17) Uani 1 1 d . . .
H12A H 0.0240 0.5247 0.8347 0.049 Uiso 1 1 calc R . .
C13 C 0.0048(8) 0.6210(4) 0.8161(4) 0.054(2) Uani 1 1 d . . .
H13A H -0.0567 0.6292 0.8474 0.064 Uiso 1 1 calc R . .
C14 C 0.0448(8) 0.6712(4) 0.7790(4) 0.051(2) Uani 1 1 d . . .
H14A H 0.0127 0.7139 0.7852 0.062 Uiso 1 1 calc R . .
C15 C 0.1323(8) 0.6591(3) 0.7325(3) 0.0503(19) Uani 1 1 d . . .
H15A H 0.1586 0.6932 0.7058 0.060 Uiso 1 1 calc R . .
C16 C 0.1817(7) 0.5964(3) 0.7250(3) 0.0415(18) Uani 1 1 d . . .
H16A H 0.2433 0.5882 0.6937 0.050 Uiso 1 1 calc R . .
C17 C 0.3364(6) 0.4370(3) 0.6055(3) 0.0278(15) Uani 1 1 d . . .
H17A H 0.3528 0.4458 0.5593 0.033 Uiso 1 1 calc R . .
H17B H 0.3183 0.3901 0.6089 0.033 Uiso 1 1 calc R . .
C18 C 0.5564(6) 0.5362(3) 0.6360(3) 0.0304(15) Uani 1 1 d . . .
C19 C 0.4862(7) 0.5675(3) 0.5787(3) 0.0340(16) Uani 1 1 d . . .
H19A H 0.3980 0.5511 0.5547 0.041 Uiso 1 1 calc R . .
C20 C 0.5461(8) 0.6230(3) 0.5570(3) 0.0428(18) Uani 1 1 d . . .
H20A H 0.4987 0.6442 0.5175 0.051 Uiso 1 1 calc R . .
C21 C 0.6722(8) 0.6479(3) 0.5915(4) 0.0482(19) Uani 1 1 d . . .
H21A H 0.7130 0.6855 0.5757 0.058 Uiso 1 1 calc R . .
C22 C 0.7384(7) 0.6180(4) 0.6486(4) 0.049(2) Uani 1 1 d . . .
H22A H 0.8248 0.6355 0.6732 0.059 Uiso 1 1 calc R . .
C23 C 0.6820(7) 0.5625(3) 0.6715(3) 0.0367(17) Uani 1 1 d . . .
H23A H 0.7295 0.5424 0.7116 0.044 Uiso 1 1 calc R . .
C24 C 0.6252(6) 0.4021(3) 0.6365(3) 0.0263(14) Uani 1 1 d . . .
C25 C 0.7209(7) 0.4187(3) 0.5953(3) 0.0387(17) Uani 1 1 d . . .
H25A H 0.7257 0.4623 0.5812 0.046 Uiso 1 1 calc R . .
C26 C 0.8100(7) 0.3731(4) 0.5743(3) 0.0465(19) Uani 1 1 d . . .
H26A H 0.8767 0.3861 0.5470 0.056 Uiso 1 1 calc R . .
C27 C 0.8037(7) 0.3105(4) 0.5920(3) 0.0456(18) Uani 1 1 d . . .
H27A H 0.8657 0.2796 0.5774 0.055 Uiso 1 1 calc R . .
C28 C 0.7066(8) 0.2918(3) 0.6313(4) 0.062(2) Uani 1 1 d . . .
H28A H 0.6994 0.2477 0.6433 0.074 Uiso 1 1 calc R . .
C29 C 0.6193(7) 0.3378(3) 0.6533(3) 0.054(2) Uani 1 1 d . . .
H29A H 0.5534 0.3246 0.6809 0.065 Uiso 1 1 calc R . .
C30 C 0.4875(7) 0.3062(3) 0.8143(3) 0.0391(17) Uani 1 1 d . . .
C31 C 0.5559(8) 0.2569(3) 0.8553(4) 0.053(2) Uani 1 1 d . . .
H31A H 0.5332 0.2130 0.8443 0.064 Uiso 1 1 calc R . .
C32 C 0.6541(9) 0.2714(4) 0.9103(4) 0.067(2) Uani 1 1 d . . .
H32A H 0.7000 0.2377 0.9381 0.080 Uiso 1 1 calc R . .
C33 C 0.6886(8) 0.3360(4) 0.9266(3) 0.056(2) Uani 1 1 d . . .
C34 C 0.6242(6) 0.3834(3) 0.8825(3) 0.0348(16) Uani 1 1 d . . .
C35 C 0.7906(9) 0.3545(5) 0.9853(4) 0.081(3) Uani 1 1 d . . .
H35A H 0.8370 0.3224 1.0150 0.097 Uiso 1 1 calc R . .
C36 C 0.8198(9) 0.4169(5) 0.9977(4) 0.078(3) Uani 1 1 d . . .
H36A H 0.8864 0.4286 1.0368 0.093 Uiso 1 1 calc R . .
C37 C 0.7530(8) 0.4667(4) 0.9535(4) 0.059(2) Uani 1 1 d . . .
C38 C 0.6552(6) 0.4498(3) 0.8949(3) 0.0373(16) Uani 1 1 d . . .
C39 C 0.7777(9) 0.5324(5) 0.9645(4) 0.079(3) Uani 1 1 d . . .
H39A H 0.8456 0.5460 1.0024 0.095 Uiso 1 1 calc R . .
C40 C 0.7073(9) 0.5775(4) 0.9225(4) 0.067(2) Uani 1 1 d . . .
H40A H 0.7229 0.6222 0.9315 0.081 Uiso 1 1 calc R . .
C41 C 0.6101(8) 0.5568(3) 0.8648(3) 0.0489(19) Uani 1 1 d . . .
C42 C 0.3682(7) 0.2907(3) 0.7581(3) 0.0470(19) Uani 1 1 d . . .
H42A H 0.3324 0.3306 0.7349 0.071 Uiso 1 1 calc R . .
H42B H 0.2903 0.2697 0.7759 0.071 Uiso 1 1 calc R . .
H42C H 0.4032 0.2616 0.7264 0.071 Uiso 1 1 calc R . .
C43 C 0.5284(8) 0.6062(3) 0.8179(4) 0.063(2) Uani 1 1 d . . .
H43A H 0.4660 0.5840 0.7809 0.095 Uiso 1 1 calc R . .
H43B H 0.5963 0.6338 0.7998 0.095 Uiso 1 1 calc R . .
H43C H 0.4697 0.6327 0.8426 0.095 Uiso 1 1 calc R . .
B1 B 0.1644(10) 0.2435(4) 1.0613(5) 0.050(2) Uani 1 1 d . . .
F1 F 0.1638(6) 0.2106(3) 1.1177(3) 0.133(2) Uani 1 1 d . . .
F2 F 0.0947(7) 0.2048(3) 1.0101(3) 0.135(2) Uani 1 1 d . . .
F3 F 0.3001(5) 0.2547(2) 1.0487(3) 0.1090(19) Uani 1 1 d . . .
F4 F 0.0900(4) 0.29740(18) 1.0581(2) 0.0659(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'
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'
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 N2 81.6(2) . . ?
N3 Cu1 P1 120.12(15) . . ?
N2 Cu1 P1 112.39(14) . . ?
N3 Cu1 P2 122.55(14) . . ?
N2 Cu1 P2 118.14(14) . . ?
P1 Cu1 P2 101.90(6) . . ?
C5 P1 C11 105.8(3) . . ?
C5 P1 C4 101.2(3) . . ?
C11 P1 C4 102.7(3) . . ?
C5 P1 Cu1 114.32(19) . . ?
C11 P1 Cu1 120.7(2) . . ?
C4 P1 Cu1 109.82(18) . . ?
C24 P2 C18 102.4(3) . . ?
C24 P2 C17 98.8(3) . . ?
C18 P2 C17 104.5(3) . . ?
C24 P2 Cu1 120.49(19) . . ?
C18 P2 Cu1 118.48(19) . . ?
C17 P2 Cu1 109.50(19) . . ?
C1 N1 C17 115.8(4) . . ?
C1 N1 C4 109.9(4) . . ?
C17 N1 C4 113.2(4) . . ?
C30 N2 C34 118.0(5) . . ?
C30 N2 Cu1 130.9(4) . . ?
C34 N2 Cu1 111.0(4) . . ?
C41 N3 C38 118.3(5) . . ?
C41 N3 Cu1 130.1(5) . . ?
C38 N3 Cu1 111.6(4) . . ?
C2 C1 C3 118.6(5) . . ?
C2 C1 N1 118.9(5) . . ?
C3 C1 N1 122.4(5) . . ?
C1 C2 C3 121.7(5) . 3_566 ?
C1 C2 H2A 119.2 . . ?
C3 C2 H2A 119.2 3_566 . ?
C2 C3 C1 119.7(5) 3_566 . ?
C2 C3 H3A 120.2 3_566 . ?
C1 C3 H3A 120.2 . . ?
N1 C4 P1 113.9(4) . . ?
N1 C4 H4A 108.8 . . ?
P1 C4 H4A 108.8 . . ?
N1 C4 H4B 108.8 . . ?
P1 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 C10 117.0(5) . . ?
C6 C5 P1 118.1(5) . . ?
C10 C5 P1 124.5(4) . . ?
C5 C6 C7 121.3(6) . . ?
C5 C6 H6A 119.4 . . ?
C7 C6 H6A 119.4 . . ?
C8 C7 C6 120.2(6) . . ?
C8 C7 H7A 119.9 . . ?
C6 C7 H7A 119.9 . . ?
C7 C8 C9 119.5(6) . . ?
C7 C8 H8A 120.2 . . ?
C9 C8 H8A 120.2 . . ?
C10 C9 C8 120.3(7) . . ?
C10 C9 H9A 119.9 . . ?
C8 C9 H9A 119.9 . . ?
C9 C10 C5 121.6(6) . . ?
C9 C10 H10A 119.2 . . ?
C5 C10 H10A 119.2 . . ?
C12 C11 C16 118.6(6) . . ?
C12 C11 P1 122.8(5) . . ?
C16 C11 P1 118.4(5) . . ?
C11 C12 C13 120.5(7) . . ?
C11 C12 H12A 119.7 . . ?
C13 C12 H12A 119.7 . . ?
C14 C13 C12 121.1(7) . . ?
C14 C13 H13A 119.5 . . ?
C12 C13 H13A 119.5 . . ?
C13 C14 C15 119.5(7) . . ?
C13 C14 H14A 120.3 . . ?
C15 C14 H14A 120.3 . . ?
C14 C15 C16 119.7(7) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
C15 C16 C11 120.6(6) . . ?
C15 C16 H16A 119.7 . . ?
C11 C16 H16A 119.7 . . ?
N1 C17 P2 113.8(4) . . ?
N1 C17 H17A 108.8 . . ?
P2 C17 H17A 108.8 . . ?
N1 C17 H17B 108.8 . . ?
P2 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C23 C18 C19 119.1(6) . . ?
C23 C18 P2 116.6(5) . . ?
C19 C18 P2 124.2(5) . . ?
C20 C19 C18 119.3(6) . . ?
C20 C19 H19A 120.4 . . ?
C18 C19 H19A 120.4 . . ?
C21 C20 C19 121.2(6) . . ?
C21 C20 H20A 119.4 . . ?
C19 C20 H20A 119.4 . . ?
C22 C21 C20 119.2(7) . . ?
C22 C21 H21A 120.4 . . ?
C20 C21 H21A 120.4 . . ?
C21 C22 C23 121.1(7) . . ?
C21 C22 H22A 119.4 . . ?
C23 C22 H22A 119.4 . . ?
C22 C23 C18 120.1(6) . . ?
C22 C23 H23A 120.0 . . ?
C18 C23 H23A 120.0 . . ?
C29 C24 C25 116.8(6) . . ?
C29 C24 P2 118.5(5) . . ?
C25 C24 P2 124.6(5) . . ?
C26 C25 C24 121.2(6) . . ?
C26 C25 H25A 119.4 . . ?
C24 C25 H25A 119.4 . . ?
C27 C26 C25 121.1(7) . . ?
C27 C26 H26A 119.5 . . ?
C25 C26 H26A 119.5 . . ?
C26 C27 C28 119.3(7) . . ?
C26 C27 H27A 120.4 . . ?
C28 C27 H27A 120.4 . . ?
C27 C28 C29 119.5(7) . . ?
C27 C28 H28A 120.2 . . ?
C29 C28 H28A 120.2 . . ?
C24 C29 C28 122.1(6) . . ?
C24 C29 H29A 119.0 . . ?
C28 C29 H29A 119.0 . . ?
N2 C30 C31 121.5(6) . . ?
N2 C30 C42 118.3(6) . . ?
C31 C30 C42 120.2(6) . . ?
C32 C31 C30 120.2(7) . . ?
C32 C31 H31A 119.9 . . ?
C30 C31 H31A 119.9 . . ?
C31 C32 C33 120.3(7) . . ?
C31 C32 H32A 119.9 . . ?
C33 C32 H32A 119.9 . . ?
C34 C33 C32 117.7(7) . . ?
C34 C33 C35 119.4(8) . . ?
C32 C33 C35 122.8(8) . . ?
N2 C34 C33 122.2(6) . . ?
N2 C34 C38 116.6(6) . . ?
C33 C34 C38 121.1(6) . . ?
C36 C35 C33 119.9(9) . . ?
C36 C35 H35A 120.0 . . ?
C33 C35 H35A 120.0 . . ?
C35 C36 C37 121.6(8) . . ?
C35 C36 H36A 119.2 . . ?
C37 C36 H36A 119.2 . . ?
C39 C37 C38 116.3(8) . . ?
C39 C37 C36 124.1(8) . . ?
C38 C37 C36 119.6(7) . . ?
N3 C38 C37 123.0(7) . . ?
N3 C38 C34 118.8(5) . . ?
C37 C38 C34 118.2(7) . . ?
C40 C39 C37 121.6(7) . . ?
C40 C39 H39A 119.2 . . ?
C37 C39 H39A 119.2 . . ?
C39 C40 C41 118.9(7) . . ?
C39 C40 H40A 120.6 . . ?
C41 C40 H40A 120.6 . . ?
N3 C41 C40 121.9(7) . . ?
N3 C41 C43 118.2(6) . . ?
C40 C41 C43 119.8(7) . . ?
C30 C42 H42A 109.5 . . ?
C30 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C30 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
F4 B1 F1 113.0(8) . . ?
F4 B1 F3 111.0(7) . . ?
F1 B1 F3 113.2(7) . . ?
F4 B1 F2 106.1(7) . . ?
F1 B1 F2 105.8(7) . . ?
F3 B1 F2 107.2(7) . . ?
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 2.046(5) . ?
Cu1 N2 2.080(5) . ?
Cu1 P1 2.2435(18) . ?
Cu1 P2 2.2440(17) . ?
P1 C5 1.812(6) . ?
P1 C11 1.829(6) . ?
P1 C4 1.841(5) . ?
P2 C24 1.827(6) . ?
P2 C18 1.832(6) . ?
P2 C17 1.847(5) . ?
N1 C1 1.446(6) . ?
N1 C17 1.455(7) . ?
N1 C4 1.481(6) . ?
N2 C30 1.348(8) . ?
N2 C34 1.384(7) . ?
N3 C41 1.329(8) . ?
N3 C38 1.368(7) . ?
C1 C2 1.373(7) . ?
C1 C3 1.402(7) . ?
C2 C3 1.385(7) 3_566 ?
C2 H2A 0.9500 . ?
C3 C2 1.385(7) 3_566 ?
C3 H3A 0.9500 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.385(7) . ?
C5 C10 1.398(8) . ?
C6 C7 1.390(8) . ?
C6 H6A 0.9500 . ?
C7 C8 1.359(8) . ?
C7 H7A 0.9500 . ?
C8 C9 1.387(8) . ?
C8 H8A 0.9500 . ?
C9 C10 1.360(8) . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9500 . ?
C11 C12 1.379(8) . ?
C11 C16 1.397(8) . ?
C12 C13 1.383(9) . ?
C12 H12A 0.9500 . ?
C13 C14 1.374(9) . ?
C13 H13A 0.9500 . ?
C14 C15 1.384(9) . ?
C14 H14A 0.9500 . ?
C15 C16 1.396(9) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C23 1.386(8) . ?
C18 C19 1.388(7) . ?
C19 C20 1.388(8) . ?
C19 H19A 0.9500 . ?
C20 C21 1.370(9) . ?
C20 H20A 0.9500 . ?
C21 C22 1.361(9) . ?
C21 H21A 0.9500 . ?
C22 C23 1.380(8) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C29 1.376(8) . ?
C24 C25 1.381(8) . ?
C25 C26 1.383(8) . ?
C25 H25A 0.9500 . ?
C26 C27 1.348(9) . ?
C26 H26A 0.9500 . ?
C27 C28 1.376(9) . ?
C27 H27A 0.9500 . ?
C28 C29 1.385(9) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C31 1.398(8) . ?
C30 C42 1.486(8) . ?
C31 C32 1.349(9) . ?
C31 H31A 0.9500 . ?
C32 C33 1.400(10) . ?
C32 H32A 0.9500 . ?
C33 C34 1.393(8) . ?
C33 C35 1.440(10) . ?
C34 C38 1.418(9) . ?
C35 C36 1.333(11) . ?
C35 H35A 0.9500 . ?
C36 C37 1.434(10) . ?
C36 H36A 0.9500 . ?
C37 C39 1.392(10) . ?
C37 C38 1.411(8) . ?
C39 C40 1.354(10) . ?
C39 H39A 0.9500 . ?
C40 C41 1.417(9) . ?
C40 H40A 0.9500 . ?
C41 C43 1.508(9) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
B1 F4 1.315(9) . ?
B1 F1 1.329(9) . ?
B1 F3 1.374(9) . ?
B1 F2 1.378(10) . ?
