#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:21:20 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257608 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/06/7240672.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_7240672
loop_
_publ_author_name
'Forero-Cortés, Paola A.'
'Marx, Maximilian'
'Moustakas, Nikolaos G.'
'Brunner, Fabian'
'Housecroft, Catherine E.'
'Constable, Edwin C.'
'Junge, Henrik'
'Beller, Matthias'
'Strunk, Jennifer'
_publ_section_title
;
 Transferring photocatalytic CO2 reduction mediated by Cu(NN)(PP)+
 complexes from organic solvents into ionic liquid media
;
_journal_issue                   14
_journal_name_full               'Green Chemistry'
_journal_page_first              4541
_journal_page_last               4549
_journal_paper_doi               10.1039/D0GC01627F
_journal_volume                  22
_journal_year                    2020
_chemical_formula_sum            'C69 H56 Cu F6 N2 O3 P3'
_chemical_formula_weight         1231.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-06-05 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.981(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.4166(16)
_cell_length_b                   16.5833(10)
_cell_length_c                   14.6422(8)
_cell_measurement_reflns_used    9688
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.79
_cell_volume                     5933.0(6)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0300
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            66040
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.484
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.518
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_description       prism
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.439
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.111
_refine_diff_density_max         0.436
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.045
_refine_ls_abs_structure_details
;
 Flack x determined using 6378 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.364(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     765
_refine_ls_number_reflns         14335
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0482P)²+4.6071P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0867
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                13602
_reflns_number_total             14335
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0gc01627f2.cif
_cod_data_source_block           AX1710
_cod_depositor_comments
;Adding full bibliography for 7240672.cif.

 Adding full bibliography for 7240672.cif.
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7240672
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.10256(12) 0.24413(18) 0.6386(2) 0.0207(6) Uani 1 1 d . . . . .
C2 C 0.11572(12) 0.23792(19) 0.5518(2) 0.0226(6) Uani 1 1 d . . . . .
H2 H 0.1463 0.2062 0.5487 0.027 Uiso 1 1 calc R U . . .
C3 C 0.08549(12) 0.27667(19) 0.4706(2) 0.0214(6) Uani 1 1 d . . . . .
C4 C 0.03938(12) 0.32266(18) 0.4782(2) 0.0210(6) Uani 1 1 d . . . . .
C5 C 0.00458(14) 0.3683(2) 0.4019(2) 0.0267(6) Uani 1 1 d . . . . .
H5 H 0.0140 0.3732 0.3437 0.032 Uiso 1 1 calc R U . . .
C6 C -0.04139(14) 0.4047(2) 0.4112(2) 0.0263(6) Uani 1 1 d . . . . .
H6 H -0.0642 0.4327 0.3583 0.032 Uiso 1 1 calc R U . . .
C7 C -0.05669(12) 0.40232(18) 0.4982(2) 0.0216(6) Uani 1 1 d . . . . .
C8 C -0.10458(12) 0.43950(18) 0.5120(2) 0.0219(6) Uani 1 1 d . . . . .
C9 C -0.11117(13) 0.43855(19) 0.6024(2) 0.0233(6) Uani 1 1 d . . . . .
H9 H -0.1424 0.4636 0.6136 0.028 Uiso 1 1 calc R U . . .
C10 C -0.07268(13) 0.40131(19) 0.6781(2) 0.0221(6) Uani 1 1 d . . . . .
C11 C -0.02067(12) 0.36533(18) 0.5770(2) 0.0194(5) Uani 1 1 d . . . . .
C12 C 0.02759(12) 0.32367(18) 0.5668(2) 0.0197(5) Uani 1 1 d . . . . .
C13 C 0.13700(14) 0.2016(2) 0.7247(2) 0.0283(7) Uani 1 1 d . . . . .
H13A H 0.1391 0.2345 0.7813 0.042 Uiso 1 1 calc R U . . .
H13B H 0.1739 0.1934 0.7179 0.042 Uiso 1 1 calc R U . . .
H13C H 0.1205 0.1493 0.7314 0.042 Uiso 1 1 calc R U . . .
C14 C 0.10330(13) 0.26668(18) 0.3824(2) 0.0215(6) Uani 1 1 d . . . . .
C15 C 0.15944(13) 0.2640(2) 0.3909(2) 0.0266(6) Uani 1 1 d . . . . .
H15 H 0.1849 0.2715 0.4514 0.032 Uiso 1 1 calc R U . . .
C16 C 0.17839(15) 0.2506(2) 0.3123(2) 0.0313(7) Uani 1 1 d . . . . .
H16 H 0.2166 0.2487 0.3192 0.038 Uiso 1 1 calc R U . . .
C17 C 0.14181(15) 0.2399(2) 0.2233(2) 0.0315(7) Uani 1 1 d . . . . .
H17 H 0.1549 0.2308 0.1694 0.038 Uiso 1 1 calc R U . . .
C18 C 0.08629(15) 0.2427(2) 0.2138(2) 0.0282(7) Uani 1 1 d . . . . .
H18 H 0.0611 0.2356 0.1529 0.034 Uiso 1 1 calc R U . . .
C19 C 0.06684(13) 0.25566(19) 0.2926(2) 0.0243(6) Uani 1 1 d . . . . .
H19 H 0.0285 0.2570 0.2852 0.029 Uiso 1 1 calc R U . . .
C20 C -0.14652(12) 0.47965(19) 0.4343(2) 0.0235(6) Uani 1 1 d . . . . .
C21 C -0.16285(13) 0.5581(2) 0.4482(2) 0.0274(6) Uani 1 1 d . . . . .
H21 H -0.1462 0.5856 0.5058 0.033 Uiso 1 1 calc R U . . .
C22 C -0.20332(15) 0.5960(2) 0.3781(3) 0.0341(8) Uani 1 1 d . . . . .
H22 H -0.2141 0.6495 0.3878 0.041 Uiso 1 1 calc R U . . .
C23 C -0.22797(15) 0.5563(3) 0.2944(3) 0.0375(8) Uani 1 1 d . . . . .
H23 H -0.2555 0.5825 0.2463 0.045 Uiso 1 1 calc R U . . .
C24 C -0.21261(16) 0.4783(2) 0.2806(2) 0.0366(8) Uani 1 1 d . . . . .
H24 H -0.2299 0.4508 0.2233 0.044 Uiso 1 1 calc R U . . .
C25 C -0.17184(14) 0.4396(2) 0.3503(2) 0.0295(7) Uani 1 1 d . . . . .
H25 H -0.1614 0.3860 0.3403 0.035 Uiso 1 1 calc R U . . .
C26 C -0.08018(14) 0.3991(2) 0.7761(2) 0.0272(6) Uani 1 1 d . . . . .
H26A H -0.0870 0.3434 0.7924 0.041 Uiso 1 1 calc R U . . .
H26B H -0.1114 0.4329 0.7782 0.041 Uiso 1 1 calc R U . . .
H26C H -0.0470 0.4194 0.8218 0.041 Uiso 1 1 calc R U . . .
C27 C 0.06160(12) 0.08742(18) 0.8580(2) 0.0201(6) Uani 1 1 d . . . . .
C28 C 0.01845(11) 0.08607(18) 0.7754(2) 0.0199(6) Uani 1 1 d . . . . .
C29 C 0.01106(13) 0.0165(2) 0.7198(2) 0.0261(6) Uani 1 1 d . . . . .
H29 H -0.0193 0.0124 0.6650 0.031 Uiso 1 1 calc R U . . .
C30 C 0.04772(15) -0.0463(2) 0.7442(2) 0.0301(7) Uani 1 1 d . . . . .
H30 H 0.0430 -0.0929 0.7050 0.036 Uiso 1 1 calc R U . . .
C31 C 0.09151(14) -0.0424(2) 0.8256(2) 0.0290(7) Uani 1 1 d . . . . .
H31 H 0.1168 -0.0859 0.8405 0.035 Uiso 1 1 calc R U . . .
C32 C 0.09883(12) 0.02427(19) 0.8853(2) 0.0230(6) Uani 1 1 d . . . . .
C33 C 0.14259(13) 0.0320(2) 0.9799(2) 0.0264(6) Uani 1 1 d . . . . .
C34 C 0.15962(12) 0.1202(2) 0.9913(2) 0.0243(6) Uani 1 1 d . . . . .
C35 C 0.21291(13) 0.1472(2) 1.0344(2) 0.0298(7) Uani 1 1 d . . . . .
H35 H 0.2412 0.1088 1.0574 0.036 Uiso 1 1 calc R U . . .
C36 C 0.22502(14) 0.2283(3) 1.0439(2) 0.0336(8) Uani 1 1 d . . . . .
H36 H 0.2612 0.2451 1.0752 0.040 Uiso 1 1 calc R U . . .
C37 C 0.18475(13) 0.2859(2) 1.0082(2) 0.0291(7) Uani 1 1 d . . . . .
H37 H 0.1938 0.3415 1.0149 0.035 Uiso 1 1 calc R U . . .
C38 C 0.13089(12) 0.26229(19) 0.9625(2) 0.0217(6) Uani 1 1 d . . . . .
C39 C 0.12013(12) 0.17942(19) 0.9578(2) 0.0208(6) Uani 1 1 d . . . . .
C40 C 0.19116(16) -0.0236(3) 0.9842(3) 0.0424(9) Uani 1 1 d . . . . .
H40A H 0.1786 -0.0797 0.9765 0.064 Uiso 1 1 calc R U . . .
H40B H 0.2184 -0.0173 1.0458 0.064 Uiso 1 1 calc R U . . .
H40C H 0.2076 -0.0094 0.9332 0.064 Uiso 1 1 calc R U . . .
C41 C 0.11632(16) 0.0096(3) 1.0603(3) 0.0380(8) Uani 1 1 d . . . . .
H41A H 0.0860 0.0466 1.0587 0.057 Uiso 1 1 calc R U . . .
H41B H 0.1439 0.0139 1.1218 0.057 Uiso 1 1 calc R U . . .
H41C H 0.1025 -0.0458 1.0510 0.057 Uiso 1 1 calc R U . . .
C42 C -0.07949(12) 0.16129(19) 0.7930(2) 0.0221(6) Uani 1 1 d . . . . .
C43 C -0.07367(13) 0.1246(2) 0.8813(2) 0.0272(7) Uani 1 1 d . . . . .
H43 H -0.0390 0.1038 0.9154 0.033 Uiso 1 1 calc R U . . .
C44 C -0.11771(15) 0.1179(2) 0.9203(3) 0.0335(8) Uani 1 1 d . . . . .
C45 C -0.16749(15) 0.1510(3) 0.8701(3) 0.0366(8) Uani 1 1 d . . . . .
H45 H -0.1975 0.1497 0.8971 0.044 Uiso 1 1 calc R U . . .
C46 C -0.17430(14) 0.1858(3) 0.7820(3) 0.0385(9) Uani 1 1 d . . . . .
H46 H -0.2089 0.2069 0.7482 0.046 Uiso 1 1 calc R U . . .
C47 C -0.13046(13) 0.1897(2) 0.7431(2) 0.0270(6) Uani 1 1 d . . . . .
C48 C -0.05973(12) 0.16768(19) 0.6193(2) 0.0224(6) Uani 1 1 d . . . . .
C49 C -0.03519(13) 0.1445(2) 0.5484(2) 0.0250(6) Uani 1 1 d . . . . .
H49 H 0.0015 0.1256 0.5666 0.030 Uiso 1 1 calc R U . . .
C50 C -0.06297(14) 0.1483(2) 0.4525(2) 0.0297(7) Uani 1 1 d . . . . .
C51 C -0.11609(16) 0.1786(3) 0.4273(3) 0.0411(9) Uani 1 1 d . . . . .
H51 H -0.1355 0.1826 0.3620 0.049 Uiso 1 1 calc R U . . .
C52 C -0.14099(16) 0.2029(3) 0.4950(3) 0.0429(10) Uani 1 1 d . . . . .
H52 H -0.1772 0.2236 0.4766 0.051 Uiso 1 1 calc R U . . .
C53 C -0.11254(14) 0.1968(2) 0.5912(2) 0.0294(7) Uani 1 1 d . . . . .
C54 C -0.1114(2) 0.0757(3) 1.0141(3) 0.0521(11) Uani 1 1 d . . . . .
H54A H -0.1358 0.1008 1.0475 0.078 Uiso 1 1 calc R U . . .
H54B H -0.0734 0.0803 1.0530 0.078 Uiso 1 1 calc R U . . .
H54C H -0.1211 0.0187 1.0027 0.078 Uiso 1 1 calc R U . . .
C55 C -0.03642(17) 0.1207(3) 0.3782(3) 0.0418(9) Uani 1 1 d . . . . .
H55A H 0.0031 0.1303 0.4005 0.063 Uiso 1 1 calc R U . . .
H55B H -0.0518 0.1507 0.3193 0.063 Uiso 1 1 calc R U . . .
H55C H -0.0432 0.0629 0.3665 0.063 Uiso 1 1 calc R U . . .
C56 C 0.04468(13) 0.36432(19) 0.9891(2) 0.0241(6) Uani 1 1 d . . . . .
C57 C 0.00033(13) 0.3204(2) 1.0000(2) 0.0266(6) Uani 1 1 d . . . . .
H57 H -0.0130 0.2768 0.9577 0.032 Uiso 1 1 calc R U . . .
C58 C -0.02544(14) 0.3375(2) 1.0703(2) 0.0314(7) Uani 1 1 d . . . . .
C59 C -0.00624(15) 0.4030(2) 1.1287(2) 0.0347(8) Uani 1 1 d . . . . .
H59 H -0.0237 0.4167 1.1761 0.042 Uiso 1 1 calc R U . . .
C60 C 0.03738(16) 0.4487(2) 1.1202(2) 0.0350(8) Uani 1 1 d . . . . .
H60 H 0.0498 0.4931 1.1614 0.042 Uiso 1 1 calc R U . . .
C61 C 0.06321(14) 0.4290(2) 1.0503(2) 0.0294(7) Uani 1 1 d . . . . .
C62 C 0.11911(14) 0.4234(2) 0.9014(2) 0.0274(7) Uani 1 1 d . . . . .
C63 C 0.14652(16) 0.4318(2) 0.8305(2) 0.0351(8) Uani 1 1 d . . . . .
H63 H 0.1380 0.3959 0.7779 0.042 Uiso 1 1 calc R U . . .
C64 C 0.18541(18) 0.4907(3) 0.8352(3) 0.0434(9) Uani 1 1 d . . . . .
C65 C 0.19611(18) 0.5435(3) 0.9122(3) 0.0460(10) Uani 1 1 d . . . . .
H65 H 0.2232 0.5840 0.9172 0.055 Uiso 1 1 calc R U . . .
C66 C 0.16895(18) 0.5389(2) 0.9812(3) 0.0421(9) Uani 1 1 d . . . . .
H66 H 0.1764 0.5766 1.0320 0.050 Uiso 1 1 calc R U . . .
C67 C 0.13023(16) 0.4783(2) 0.9754(2) 0.0334(7) Uani 1 1 d . . . . .
C68 C -0.07014(17) 0.2843(3) 1.0853(3) 0.0460(10) Uani 1 1 d . . . . .
H68A H -0.0544 0.2329 1.1130 0.069 Uiso 1 1 calc R U . . .
H68B H -0.0971 0.2742 1.0242 0.069 Uiso 1 1 calc R U . . .
H68C H -0.0881 0.3109 1.1284 0.069 Uiso 1 1 calc R U . . .
C69 C 0.2153(2) 0.4977(4) 0.7590(4) 0.0656(15) Uani 1 1 d . . . . .
H69A H 0.2104 0.4479 0.7216 0.098 Uiso 1 1 calc R U . . .
H69B H 0.2544 0.5066 0.7889 0.098 Uiso 1 1 calc R U . . .
H69C H 0.2004 0.5432 0.7171 0.098 Uiso 1 1 calc R U . . .
Cu1 Cu 0.02684(2) 0.29368(2) 0.76034(2) 0.01908(8) Uani 1 1 d . . . . .
F1 F 0.33236(10) 0.1806(2) 0.6781(2) 0.0700(9) Uani 1 1 d . . . . .
F2 F 0.29405(12) 0.25068(19) 0.54401(18) 0.0575(7) Uani 1 1 d . . . . .
F3 F 0.24135(9) 0.18004(15) 0.61701(19) 0.0446(5) Uani 1 1 d . . . . .
F4 F 0.23911(12) 0.31538(16) 0.6184(2) 0.0563(7) Uani 1 1 d . . . . .
F5 F 0.27847(11) 0.24646(19) 0.75302(18) 0.0565(7) Uani 1 1 d . . . . .
F6 F 0.33174(13) 0.3167(2) 0.6802(2) 0.0761(10) Uani 1 1 d . . . . .
N1 N 0.05899(10) 0.28590(15) 0.64588(17) 0.0188(5) Uani 1 1 d . . . . .
N2 N -0.02845(10) 0.36529(15) 0.66551(17) 0.0201(5) Uani 1 1 d . . . . .
O1 O 0.06671(8) 0.15632(13) 0.91368(14) 0.0195(4) Uani 1 1 d . . . . .
O2 O -0.14010(10) 0.22599(19) 0.65459(16) 0.0375(6) Uani 1 1 d . . . . .
O3 O 0.10674(12) 0.47769(17) 1.04960(18) 0.0396(6) Uani 1 1 d . . . . .
P1 P -0.02237(3) 0.17708(5) 0.74342(5) 0.01813(14) Uani 1 1 d . . . . .
P2 P 0.07823(3) 0.33455(5) 0.90037(5) 0.02064(15) Uani 1 1 d . . . . .
P3 P 0.28638(4) 0.24917(7) 0.64881(7) 0.0371(2) 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N1 C1 C2 121.3(3) . . ?
N1 C1 C13 118.8(3) . . ?
C2 C1 C13 119.9(3) . . ?
C3 C2 C1 122.0(3) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C2 C3 C4 117.0(3) . . ?
C2 C3 C14 117.6(3) . . ?
C4 C3 C14 125.3(3) . . ?
C12 C4 C3 117.7(3) . . ?
C12 C4 C5 117.9(3) . . ?
C3 C4 C5 124.3(3) . . ?
C6 C5 C4 121.4(3) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 122.0(3) . . ?
C5 C6 H6 119.0 . . ?
C7 C6 H6 119.0 . . ?
C11 C7 C8 117.5(3) . . ?
C11 C7 C6 118.0(3) . . ?
C8 C7 C6 124.4(3) . . ?
C9 C8 C7 117.7(3) . . ?
C9 C8 C20 119.3(3) . . ?
C7 C8 C20 123.1(3) . . ?
C8 C9 C10 121.4(3) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
N2 C10 C9 121.3(3) . . ?
N2 C10 C26 117.2(3) . . ?
C9 C10 C26 121.5(3) . . ?
N2 C11 C7 123.3(3) . . ?
N2 C11 C12 116.4(3) . . ?
C7 C11 C12 120.2(3) . . ?
N1 C12 C4 123.5(3) . . ?
N1 C12 C11 116.5(3) . . ?
C4 C12 C11 120.0(3) . . ?
C1 C13 H13A 109.5 . . ?
C1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 118.4(3) . . ?
C19 C14 C3 123.3(3) . . ?
C15 C14 C3 118.2(3) . . ?
C16 C15 C14 120.8(3) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 120.3(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 120.5(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C14 120.4(3) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C25 C20 C21 119.3(3) . . ?
C25 C20 C8 121.5(3) . . ?
C21 C20 C8 119.0(3) . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 119.9(3) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.5(3) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C20 C25 C24 119.8(3) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C10 C26 H26A 109.5 . . ?
C10 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C10 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 C27 C28 116.6(3) . . ?
O1 C27 C32 120.2(3) . . ?
C28 C27 C32 123.2(3) . . ?
C27 C28 C29 117.9(3) . . ?
C27 C28 P1 117.9(2) . . ?
C29 C28 P1 124.1(2) . . ?
C30 C29 C28 120.1(3) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C31 120.8(3) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C30 C31 C32 120.9(3) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C31 C32 C27 117.0(3) . . ?
C31 C32 C33 125.2(3) . . ?
C27 C32 C33 117.8(3) . . ?
C34 C33 C32 107.2(2) . . ?
C34 C33 C40 111.9(3) . . ?
C32 C33 C40 111.5(3) . . ?
C34 C33 C41 108.4(3) . . ?
C32 C33 C41 108.1(3) . . ?
C40 C33 C41 109.6(3) . . ?
C39 C34 C35 116.6(3) . . ?
C39 C34 C33 118.9(3) . . ?
C35 C34 C33 124.5(3) . . ?
C36 C35 C34 121.2(3) . . ?
C36 C35 H35 119.4 . . ?
C34 C35 H35 119.4 . . ?
C35 C36 C37 120.7(3) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C36 C37 C38 120.5(3) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C39 C38 C37 116.7(3) . . ?
C39 C38 P2 120.6(2) . . ?
C37 C38 P2 122.4(3) . . ?
O1 C39 C34 119.2(3) . . ?
O1 C39 C38 116.6(3) . . ?
C34 C39 C38 124.2(3) . . ?
C33 C40 H40A 109.5 . . ?
C33 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C33 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C33 C41 H41A 109.5 . . ?
C33 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C33 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C47 C42 C43 118.8(3) . . ?
C47 C42 P1 118.4(2) . . ?
C43 C42 P1 122.7(2) . . ?
C44 C43 C42 121.4(3) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
C45 C44 C43 118.0(3) . . ?
C45 C44 C54 121.1(3) . . ?
C43 C44 C54 120.9(3) . . ?
C46 C45 C44 121.4(3) . . ?
C46 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
C45 C46 C47 119.8(3) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C42 C47 C46 120.6(3) . . ?
C42 C47 O2 122.7(3) . . ?
C46 C47 O2 116.7(3) . . ?
C53 C48 C49 118.0(3) . . ?
C53 C48 P1 117.9(2) . . ?
C49 C48 P1 123.3(2) . . ?
C50 C49 C48 122.0(3) . . ?
C50 C49 H49 119.0 . . ?
C48 C49 H49 119.0 . . ?
C49 C50 C51 118.1(3) . . ?
C49 C50 C55 120.9(3) . . ?
C51 C50 C55 121.0(3) . . ?
C52 C51 C50 121.3(3) . . ?
C52 C51 H51 119.3 . . ?
C50 C51 H51 119.3 . . ?
C51 C52 C53 119.5(3) . . ?
C51 C52 H52 120.3 . . ?
C53 C52 H52 120.3 . . ?
C48 C53 O2 123.3(3) . . ?
C48 C53 C52 121.2(3) . . ?
O2 C53 C52 115.5(3) . . ?
C44 C54 H54A 109.5 . . ?
C44 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C44 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C61 118.2(3) . . ?
C57 C56 P2 119.8(2) . . ?
C61 C56 P2 122.0(3) . . ?
C56 C57 C58 122.6(3) . . ?
C56 C57 H57 118.7 . . ?
C58 C57 H57 118.7 . . ?
C59 C58 C57 117.3(3) . . ?
C59 C58 C68 121.5(3) . . ?
C57 C58 C68 121.1(4) . . ?
C60 C59 C58 122.1(3) . . ?
C60 C59 H59 118.9 . . ?
C58 C59 H59 118.9 . . ?
C59 C60 C61 119.3(3) . . ?
C59 C60 H60 120.3 . . ?
C61 C60 H60 120.3 . . ?
O3 C61 C56 125.3(3) . . ?
O3 C61 C60 114.3(3) . . ?
C56 C61 C60 120.4(3) . . ?
C67 C62 C63 118.5(3) . . ?
C67 C62 P2 122.5(3) . . ?
C63 C62 P2 118.5(3) . . ?
C64 C63 C62 121.8(3) . . ?
C64 C63 H63 119.1 . . ?
C62 C63 H63 119.1 . . ?
C63 C64 C65 117.5(4) . . ?
C63 C64 C69 121.0(4) . . ?
C65 C64 C69 121.4(4) . . ?
C66 C65 C64 122.4(4) . . ?
C66 C65 H65 118.8 . . ?
C64 C65 H65 118.8 . . ?
C65 C66 C67 119.0(4) . . ?
C65 C66 H66 120.5 . . ?
C67 C66 H66 120.5 . . ?
O3 C67 C62 125.0(3) . . ?
O3 C67 C66 114.2(3) . . ?
C62 C67 C66 120.7(3) . . ?
C58 C68 H68A 109.5 . . ?
C58 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C58 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N2 Cu1 N1 80.65(10) . . ?
N2 Cu1 P2 124.58(8) . . ?
N1 Cu1 P2 120.51(7) . . ?
N2 Cu1 P1 99.43(7) . . ?
N1 Cu1 P1 100.78(7) . . ?
P2 Cu1 P1 121.80(3) . . ?
C1 N1 C12 118.3(2) . . ?
C1 N1 Cu1 128.4(2) . . ?
C12 N1 Cu1 113.01(19) . . ?
C10 N2 C11 118.7(3) . . ?
C10 N2 Cu1 127.7(2) . . ?
C11 N2 Cu1 113.00(19) . . ?
C39 O1 C27 115.0(2) . . ?
C47 O2 C53 118.6(3) . . ?
C61 O3 C67 122.4(3) . . ?
C48 P1 C42 97.65(14) . . ?
C48 P1 C28 106.94(14) . . ?
C42 P1 C28 103.89(14) . . ?
C48 P1 Cu1 107.63(11) . . ?
C42 P1 Cu1 123.72(11) . . ?
C28 P1 Cu1 114.78(10) . . ?
C62 P2 C56 98.95(16) . . ?
C62 P2 C38 100.91(15) . . ?
C56 P2 C38 104.20(13) . . ?
C62 P2 Cu1 116.77(11) . . ?
C56 P2 Cu1 118.35(11) . . ?
C38 P2 Cu1 114.98(10) . . ?
F6 P3 F5 90.89(16) . . ?
F6 P3 F3 179.1(2) . . ?
F5 P3 F3 89.41(15) . . ?
F6 P3 F4 91.53(19) . . ?
F5 P3 F4 90.16(16) . . ?
F3 P3 F4 89.34(14) . . ?
F6 P3 F2 89.78(16) . . ?
F5 P3 F2 179.25(18) . . ?
F3 P3 F2 89.91(15) . . ?
F4 P3 F2 90.16(16) . . ?
F6 P3 F1 90.3(2) . . ?
F5 P3 F1 89.90(16) . . ?
F3 P3 F1 88.86(16) . . ?
F4 P3 F1 178.20(19) . . ?
F2 P3 F1 89.75(16) . . ?
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
C1 N1 1.335(4) . ?
C1 C2 1.404(4) . ?
C1 C13 1.499(4) . ?
C2 C3 1.383(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.428(4) . ?
C3 C14 1.490(4) . ?
C4 C12 1.410(4) . ?
C4 C5 1.435(4) . ?
C5 C6 1.355(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.431(4) . ?
C6 H6 0.9500 . ?
C7 C11 1.401(4) . ?
C7 C8 1.428(4) . ?
C8 C9 1.379(4) . ?
C8 C20 1.485(4) . ?
C9 C10 1.404(4) . ?
C9 H9 0.9500 . ?
C10 N2 1.330(4) . ?
C10 C26 1.499(4) . ?
C11 N2 1.364(4) . ?
C11 C12 1.450(4) . ?
C12 N1 1.364(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.397(4) . ?
C14 C15 1.399(5) . ?
C15 C16 1.383(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.391(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.391(5) . ?
C20 C21 1.397(5) . ?
C21 C22 1.387(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(5) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 O1 1.389(4) . ?
C27 C28 1.391(4) . ?
C27 C32 1.394(4) . ?
C28 C29 1.395(4) . ?
C28 P1 1.818(3) . ?
C29 C30 1.377(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.391(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.523(4) . ?
C33 C34 1.523(5) . ?
C33 C40 1.527(5) . ?
C33 C41 1.550(5) . ?
C34 C39 1.393(4) . ?
C34 C35 1.400(5) . ?
C35 C36 1.379(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.392(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.404(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.399(4) . ?
C38 P2 1.840(3) . ?
C39 O1 1.387(3) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C47 1.384(4) . ?
C42 C43 1.399(4) . ?
C42 P1 1.813(3) . ?
C43 C44 1.394(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.389(5) . ?
C44 C54 1.511(5) . ?
C45 C46 1.380(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.386(5) . ?
C46 H46 0.9500 . ?
C47 O2 1.388(4) . ?
C48 C53 1.378(4) . ?
C48 C49 1.405(4) . ?
C48 P1 1.810(3) . ?
C49 C50 1.388(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.392(5) . ?
C50 C55 1.501(5) . ?
C51 C52 1.375(6) . ?
C51 H51 0.9500 . ?
C52 C53 1.399(5) . ?
C52 H52 0.9500 . ?
C53 O2 1.395(4) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.388(5) . ?
C56 C61 1.394(5) . ?
C56 P2 1.808(3) . ?
C57 C58 1.393(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.385(6) . ?
C58 C68 1.502(6) . ?
C59 C60 1.377(6) . ?
C59 H59 0.9500 . ?
C60 C61 1.398(5) . ?
C60 H60 0.9500 . ?
C61 O3 1.372(4) . ?
C62 C67 1.383(5) . ?
C62 C63 1.407(5) . ?
C62 P2 1.801(3) . ?
C63 C64 1.378(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.394(6) . ?
C64 C69 1.517(6) . ?
C65 C66 1.373(6) . ?
C65 H65 0.9500 . ?
C66 C67 1.393(5) . ?
C66 H66 0.9500 . ?
C67 O3 1.376(4) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
Cu1 N2 2.059(3) . ?
Cu1 N1 2.061(2) . ?
Cu1 P2 2.2124(8) . ?
Cu1 P1 2.2789(8) . ?
F1 P3 1.602(3) . ?
F2 P3 1.599(3) . ?
F3 P3 1.596(3) . ?
F4 P3 1.598(3) . ?
F5 P3 1.594(3) . ?
F6 P3 1.582(3) . ?
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
_geom_torsion_publ_flag
N1 C1 C2 C3 2.1(5) . . . . ?
C13 C1 C2 C3 -179.4(3) . . . . ?
C1 C2 C3 C4 -1.0(5) . . . . ?
C1 C2 C3 C14 179.5(3) . . . . ?
C2 C3 C4 C12 -1.3(4) . . . . ?
C14 C3 C4 C12 178.2(3) . . . . ?
C2 C3 C4 C5 178.2(3) . . . . ?
C14 C3 C4 C5 -2.3(5) . . . . ?
C12 C4 C5 C6 -6.6(5) . . . . ?
C3 C4 C5 C6 173.9(3) . . . . ?
C4 C5 C6 C7 2.4(5) . . . . ?
C5 C6 C7 C11 4.1(5) . . . . ?
C5 C6 C7 C8 -180.0(3) . . . . ?
C11 C7 C8 C9 1.9(4) . . . . ?
C6 C7 C8 C9 -174.0(3) . . . . ?
C11 C7 C8 C20 -179.0(3) . . . . ?
C6 C7 C8 C20 5.1(5) . . . . ?
C7 C8 C9 C10 -1.0(5) . . . . ?
C20 C8 C9 C10 179.9(3) . . . . ?
C8 C9 C10 N2 -0.2(5) . . . . ?
C8 C9 C10 C26 -179.0(3) . . . . ?
C8 C7 C11 N2 -1.9(4) . . . . ?
C6 C7 C11 N2 174.3(3) . . . . ?
C8 C7 C11 C12 177.5(3) . . . . ?
C6 C7 C11 C12 -6.3(4) . . . . ?
C3 C4 C12 N1 2.7(5) . . . . ?
C5 C4 C12 N1 -176.8(3) . . . . ?
C3 C4 C12 C11 -176.2(3) . . . . ?
C5 C4 C12 C11 4.2(4) . . . . ?
N2 C11 C12 N1 2.6(4) . . . . ?
C7 C11 C12 N1 -176.8(3) . . . . ?
N2 C11 C12 C4 -178.4(3) . . . . ?
C7 C11 C12 C4 2.2(4) . . . . ?
C2 C3 C14 C19 139.3(3) . . . . ?
C4 C3 C14 C19 -40.2(5) . . . . ?
C2 C3 C14 C15 -37.2(4) . . . . ?
C4 C3 C14 C15 143.2(3) . . . . ?
C19 C14 C15 C16 -0.1(5) . . . . ?
C3 C14 C15 C16 176.6(3) . . . . ?
C14 C15 C16 C17 0.3(5) . . . . ?
C15 C16 C17 C18 0.0(5) . . . . ?
C16 C17 C18 C19 -0.3(5) . . . . ?
C17 C18 C19 C14 0.5(5) . . . . ?
C15 C14 C19 C18 -0.2(5) . . . . ?
C3 C14 C19 C18 -176.8(3) . . . . ?
C9 C8 C20 C25 -126.2(3) . . . . ?
C7 C8 C20 C25 54.8(4) . . . . ?
C9 C8 C20 C21 50.5(4) . . . . ?
C7 C8 C20 C21 -128.6(3) . . . . ?
C25 C20 C21 C22 -1.0(5) . . . . ?
C8 C20 C21 C22 -177.8(3) . . . . ?
C20 C21 C22 C23 0.4(5) . . . . ?
C21 C22 C23 C24 0.5(6) . . . . ?
C22 C23 C24 C25 -0.8(6) . . . . ?
C21 C20 C25 C24 0.7(5) . . . . ?
C8 C20 C25 C24 177.4(3) . . . . ?
C23 C24 C25 C20 0.1(6) . . . . ?
O1 C27 C28 C29 -177.7(2) . . . . ?
C32 C27 C28 C29 2.8(4) . . . . ?
O1 C27 C28 P1 5.6(3) . . . . ?
C32 C27 C28 P1 -173.9(2) . . . . ?
C27 C28 C29 C30 -3.8(4) . . . . ?
P1 C28 C29 C30 172.7(2) . . . . ?
C28 C29 C30 C31 1.9(5) . . . . ?
C29 C30 C31 C32 1.2(5) . . . . ?
C30 C31 C32 C27 -2.2(5) . . . . ?
C30 C31 C32 C33 175.0(3) . . . . ?
O1 C27 C32 C31 -179.3(3) . . . . ?
C28 C27 C32 C31 0.2(4) . . . . ?
O1 C27 C32 C33 3.3(4) . . . . ?
C28 C27 C32 C33 -177.2(3) . . . . ?
C31 C32 C33 C34 146.2(3) . . . . ?
C27 C32 C33 C34 -36.7(4) . . . . ?
C31 C32 C33 C40 23.4(5) . . . . ?
C27 C32 C33 C40 -159.5(3) . . . . ?
C31 C32 C33 C41 -97.2(4) . . . . ?
C27 C32 C33 C41 79.9(4) . . . . ?
C32 C33 C34 C39 35.8(4) . . . . ?
C40 C33 C34 C39 158.3(3) . . . . ?
C41 C33 C34 C39 -80.7(3) . . . . ?
C32 C33 C34 C35 -144.6(3) . . . . ?
C40 C33 C34 C35 -22.1(4) . . . . ?
C41 C33 C34 C35 98.9(4) . . . . ?
C39 C34 C35 C36 0.9(5) . . . . ?
C33 C34 C35 C36 -178.7(3) . . . . ?
C34 C35 C36 C37 -2.0(5) . . . . ?
C35 C36 C37 C38 0.5(5) . . . . ?
C36 C37 C38 C39 1.9(4) . . . . ?
C36 C37 C38 P2 -171.8(2) . . . . ?
C35 C34 C39 O1 179.4(3) . . . . ?
C33 C34 C39 O1 -1.0(4) . . . . ?
C35 C34 C39 C38 1.7(4) . . . . ?
C33 C34 C39 C38 -178.7(3) . . . . ?
C37 C38 C39 O1 179.2(2) . . . . ?
P2 C38 C39 O1 -7.0(3) . . . . ?
C37 C38 C39 C34 -3.1(4) . . . . ?
P2 C38 C39 C34 170.7(2) . . . . ?
C47 C42 C43 C44 -1.4(5) . . . . ?
P1 C42 C43 C44 175.9(3) . . . . ?
C42 C43 C44 C45 -1.9(6) . . . . ?
C42 C43 C44 C54 177.9(4) . . . . ?
C43 C44 C45 C46 3.4(6) . . . . ?
C54 C44 C45 C46 -176.4(4) . . . . ?
C44 C45 C46 C47 -1.5(6) . . . . ?
C43 C42 C47 C46 3.3(5) . . . . ?
P1 C42 C47 C46 -174.1(3) . . . . ?
C43 C42 C47 O2 -179.2(3) . . . . ?
P1 C42 C47 O2 3.4(5) . . . . ?
C45 C46 C47 C42 -1.9(6) . . . . ?
C45 C46 C47 O2 -179.5(4) . . . . ?
C53 C48 C49 C50 -1.6(5) . . . . ?
P1 C48 C49 C50 -171.0(3) . . . . ?
C48 C49 C50 C51 2.0(5) . . . . ?
C48 C49 C50 C55 -178.0(3) . . . . ?
C49 C50 C51 C52 -1.1(6) . . . . ?
C55 C50 C51 C52 179.0(4) . . . . ?
C50 C51 C52 C53 -0.3(7) . . . . ?
C49 C48 C53 O2 -176.2(3) . . . . ?
P1 C48 C53 O2 -6.1(5) . . . . ?
C49 C48 C53 C52 0.2(5) . . . . ?
P1 C48 C53 C52 170.2(3) . . . . ?
C51 C52 C53 C48 0.7(7) . . . . ?
C51 C52 C53 O2 177.4(4) . . . . ?
C61 C56 C57 C58 -1.2(5) . . . . ?
P2 C56 C57 C58 176.5(3) . . . . ?
C56 C57 C58 C59 2.1(5) . . . . ?
C56 C57 C58 C68 -174.6(3) . . . . ?
C57 C58 C59 C60 -1.6(5) . . . . ?
C68 C58 C59 C60 175.1(4) . . . . ?
C58 C59 C60 C61 0.3(5) . . . . ?
C57 C56 C61 O3 179.2(3) . . . . ?
P2 C56 C61 O3 1.5(5) . . . . ?
C57 C56 C61 C60 -0.2(5) . . . . ?
P2 C56 C61 C60 -177.8(3) . . . . ?
C59 C60 C61 O3 -178.8(3) . . . . ?
C59 C60 C61 C56 0.6(5) . . . . ?
C67 C62 C63 C64 2.7(6) . . . . ?
P2 C62 C63 C64 -169.1(3) . . . . ?
C62 C63 C64 C65 -1.3(6) . . . . ?
C62 C63 C64 C69 178.8(4) . . . . ?
C63 C64 C65 C66 -0.9(7) . . . . ?
C69 C64 C65 C66 179.0(5) . . . . ?
C64 C65 C66 C67 1.6(7) . . . . ?
C63 C62 C67 O3 -179.9(3) . . . . ?
P2 C62 C67 O3 -8.4(5) . . . . ?
C63 C62 C67 C66 -2.0(6) . . . . ?
P2 C62 C67 C66 169.6(3) . . . . ?
C65 C66 C67 O3 178.1(4) . . . . ?
C65 C66 C67 C62 -0.1(6) . . . . ?
C2 C1 N1 C12 -0.8(4) . . . . ?
C13 C1 N1 C12 -179.3(3) . . . . ?
C2 C1 N1 Cu1 172.8(2) . . . . ?
C13 C1 N1 Cu1 -5.7(4) . . . . ?
C4 C12 N1 C1 -1.6(4) . . . . ?
C11 C12 N1 C1 177.3(3) . . . . ?
C4 C12 N1 Cu1 -176.2(2) . . . . ?
C11 C12 N1 Cu1 2.8(3) . . . . ?
C9 C10 N2 C11 0.3(4) . . . . ?
C26 C10 N2 C11 179.2(3) . . . . ?
C9 C10 N2 Cu1 -170.4(2) . . . . ?
C26 C10 N2 Cu1 8.5(4) . . . . ?
C7 C11 N2 C10 0.8(4) . . . . ?
C12 C11 N2 C10 -178.7(3) . . . . ?
C7 C11 N2 Cu1 172.8(2) . . . . ?
C12 C11 N2 Cu1 -6.6(3) . . . . ?
C34 C39 O1 C27 -36.5(3) . . . . ?
C38 C39 O1 C27 141.4(3) . . . . ?
C28 C27 O1 C39 -144.1(3) . . . . ?
C32 C27 O1 C39 35.5(4) . . . . ?
C42 C47 O2 C53 36.4(5) . . . . ?
C46 C47 O2 C53 -146.0(4) . . . . ?
C48 C53 O2 C47 -35.0(5) . . . . ?
C52 C53 O2 C47 148.4(4) . . . . ?
C56 C61 O3 C67 13.8(5) . . . . ?
C60 C61 O3 C67 -166.8(3) . . . . ?
C62 C67 O3 C61 -10.1(6) . . . . ?
C66 C67 O3 C61 171.8(3) . . . . ?
C53 C48 P1 C42 35.4(3) . . . . ?
C49 C48 P1 C42 -155.1(3) . . . . ?
C53 C48 P1 C28 142.5(3) . . . . ?
C49 C48 P1 C28 -48.0(3) . . . . ?
C53 C48 P1 Cu1 -93.7(3) . . . . ?
C49 C48 P1 Cu1 75.8(3) . . . . ?
C47 C42 P1 C48 -34.2(3) . . . . ?
C43 C42 P1 C48 148.5(3) . . . . ?
C47 C42 P1 C28 -143.9(3) . . . . ?
C43 C42 P1 C28 38.8(3) . . . . ?
C47 C42 P1 Cu1 82.9(3) . . . . ?
C43 C42 P1 Cu1 -94.4(3) . . . . ?
C27 C28 P1 C48 162.8(2) . . . . ?
C29 C28 P1 C48 -13.6(3) . . . . ?
C27 C28 P1 C42 -94.6(2) . . . . ?
C29 C28 P1 C42 89.0(3) . . . . ?
C27 C28 P1 Cu1 43.5(2) . . . . ?
C29 C28 P1 Cu1 -132.9(2) . . . . ?
C67 C62 P2 C56 18.2(3) . . . . ?
C63 C62 P2 C56 -170.3(3) . . . . ?
C67 C62 P2 C38 -88.3(3) . . . . ?
C63 C62 P2 C38 83.3(3) . . . . ?
C67 C62 P2 Cu1 146.3(3) . . . . ?
C63 C62 P2 Cu1 -42.1(3) . . . . ?
C57 C56 P2 C62 167.4(3) . . . . ?
C61 C56 P2 C62 -14.9(3) . . . . ?
C57 C56 P2 C38 -88.8(3) . . . . ?
C61 C56 P2 C38 88.8(3) . . . . ?
C57 C56 P2 Cu1 40.3(3) . . . . ?
C61 C56 P2 Cu1 -142.0(2) . . . . ?
C39 C38 P2 C62 -164.0(2) . . . . ?
C37 C38 P2 C62 9.4(3) . . . . ?
C39 C38 P2 C56 93.7(3) . . . . ?
C37 C38 P2 C56 -92.8(3) . . . . ?
C39 C38 P2 Cu1 -37.4(3) . . . . ?
C37 C38 P2 Cu1 136.0(2) . . . . ?
