#------------------------------------------------------------------------------
#$Date: 2022-10-25 02:08:58 +0300 (Tue, 25 Oct 2022) $
#$Revision: 278756 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/15/7711539.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_7711539
loop_
_publ_author_name
'Maser, Leon'
'Vogt, Matthias'
'Langer, Robert'
_publ_section_title
;
 Cationic ligands between σ-donation and hydrogen-bridge-bond-
 stabilisation of ancillary ligands in coinage metal complexes with
 protonated carbodiphosphoranes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02338E
_journal_year                    2022
_chemical_formula_moiety         'C51 H45 Cl Cu P4, F6 P, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C52.5 H48 Cl4 Cu F6 P5'
_chemical_formula_weight         1153.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-01-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-05-12 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.7150(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.7110(10)
_cell_length_b                   11.7151(5)
_cell_length_c                   38.1889(19)
_cell_measurement_reflns_used    9911
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.362
_cell_volume                     10211.5(8)
_computing_cell_refinement       'APEX3 v2016.1-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v3.0.26'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      99.99
_diffrn_detector                 'Photon 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_detector_type            'CMOS active pixel sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'fixed-chi goniometer'
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0989
_diffrn_reflns_av_unetI/netI     0.0665
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            62444
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.427
_diffrn_reflns_theta_min         2.124
_diffrn_source                   'I\mS Microfocus Source'
_diffrn_source_type              'sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.853
_exptl_absorpt_correction_T_max  0.0932
_exptl_absorpt_correction_T_min  0.0691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0945 before and 0.0599 after correction. The Ratio of minimum to maximum transmission is 0.7414. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       block
_exptl_crystal_F_000             4712
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         10472
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0323P)²+31.0681P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.1004
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7472
_reflns_number_total             10472
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02338e2.cif
_cod_data_source_block           lmcdp259_0ma_neu_a
_cod_original_formula_sum        'C52.50 H48 Cl4 Cu F6 P5'
_cod_database_code               7711539
_shelx_shelxl_version_number     2014/7
_audit_contact_author            'L. Maser'
_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_max   0.951
_shelx_estimated_absorpt_t_min   0.920
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Cl10-C1 \\sim Cl-C1
 with sigma of 0.02
3. Others
 Fixed Sof: Cl10(0.5) C1(0.5) H1A(0.5) H1B(0.5) Cl(0.5)
4.a Ternary CH refined with riding coordinates:
 C00R(H00R)
4.b Secondary CH2 refined with riding coordinates:
 C00L(H00A,H00B), C00M(H00C,H00D), C01W(H01W,H01X), C1(H1A,H1B)
4.c Aromatic/amide H refined with riding coordinates:
 C00K(H00K), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C017(H017), C018(H018), C019(H019),
 C01A(H01A), C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E), C01F(H01F),
 C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01L(H01L),
 C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R),
 C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
'-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
Cu01 Cu 0.34845(2) 0.46604(3) 0.65481(2) 0.01357(10) Uani 1 1 d . . . . .
P002 P 0.38240(3) 0.27324(7) 0.60436(2) 0.01136(17) Uani 1 1 d . . . . .
P03 P 0.32797(3) 0.50460(7) 0.59449(2) 0.01142(17) Uani 1 1 d . . . . .
P04 P 0.26893(4) 0.41076(7) 0.67232(2) 0.01353(18) Uani 1 1 d . . . . .
Cl05 Cl 0.42084(4) 0.56343(7) 0.69515(2) 0.0236(2) Uani 1 1 d . . . . .
P006 P 0.33737(4) 0.20080(7) 0.67016(2) 0.01225(18) Uani 1 1 d . . . . .
P007 P 0.14899(4) 0.15296(8) 0.54920(2) 0.01726(19) Uani 1 1 d . . . . .
Cl10 Cl 0.4872(6) 0.0800(10) 0.5268(4) 0.046(3) Uani 0.5 1 d D . P A -1
Cl09 Cl 0.57535(6) 0.67414(11) 0.68042(4) 0.0583(3) Uani 1 1 d . . . . .
Cl0A Cl 0.55204(6) 0.87195(14) 0.71970(5) 0.0768(5) Uani 1 1 d . . . . .
F00B F 0.21121(8) 0.20798(16) 0.57140(5) 0.0225(4) Uani 1 1 d . . . . .
F00C F 0.08821(8) 0.09849(19) 0.52745(6) 0.0346(5) Uani 1 1 d . . . . .
F00D F 0.16576(10) 0.1746(2) 0.51221(5) 0.0401(6) Uani 1 1 d . . . . .
F00E F 0.17896(9) 0.03004(17) 0.55253(6) 0.0353(5) Uani 1 1 d . . . . .
F00F F 0.11994(9) 0.27591(18) 0.54669(7) 0.0414(6) Uani 1 1 d . . . . .
F00G F 0.13429(11) 0.1324(2) 0.58705(6) 0.0447(7) Uani 1 1 d . . . . .
C00H C 0.25772(13) 0.5632(3) 0.56836(8) 0.0126(7) Uani 1 1 d . . . . .
C00I C 0.37585(14) 0.1316(3) 0.58533(8) 0.0136(7) Uani 1 1 d . . . . .
C00J C 0.33112(14) 0.0502(3) 0.65959(8) 0.0148(7) Uani 1 1 d . . . . .
C00K C 0.33227(14) 0.1003(3) 0.55438(9) 0.0162(7) Uani 1 1 d . . . . .
H00K H 0.3038 0.1544 0.5423 0.019 Uiso 1 1 calc R . . . .
C00L C 0.26334(13) 0.2582(3) 0.65893(8) 0.0145(7) Uani 1 1 d . . . . .
H00A H 0.2394 0.2161 0.6723 0.017 Uiso 1 1 calc R . . . .
H00B H 0.2446 0.2506 0.6325 0.017 Uiso 1 1 calc R . . . .
C00M C 0.32536(13) 0.3590(3) 0.57553(8) 0.0127(7) Uani 1 1 d . . . . .
H00C H 0.2867 0.3242 0.5739 0.015 Uiso 1 1 calc R . . . .
H00D H 0.3307 0.3625 0.5507 0.015 Uiso 1 1 calc R . . . .
C00N C 0.38131(13) 0.5750(3) 0.57524(8) 0.0133(7) Uani 1 1 d . . . . .
C00O C 0.36825(13) 0.2096(3) 0.71871(8) 0.0141(7) Uani 1 1 d . . . . .
C00P C 0.45166(13) 0.3277(3) 0.60087(8) 0.0124(7) Uani 1 1 d . . . . .
C00Q C 0.19834(14) 0.4731(3) 0.64901(8) 0.0169(7) Uani 1 1 d . . . . .
C00R C 0.38135(14) 0.2833(3) 0.64984(8) 0.0132(7) Uani 1 1 d . . . . .
H00R H 0.4227 0.2779 0.6653 0.016 Uiso 1 1 calc R . . . .
C00S C 0.20637(14) 0.4988(3) 0.56231(8) 0.0156(7) Uani 1 1 d . . . . .
H00S H 0.2084 0.4211 0.5696 0.019 Uiso 1 1 calc R . . . .
C00T C 0.43139(14) 0.6225(3) 0.59848(9) 0.0164(7) Uani 1 1 d . . . . .
H00T H 0.4361 0.6242 0.6240 0.020 Uiso 1 1 calc R . . . .
C00U C 0.49495(14) 0.3704(3) 0.62981(9) 0.0177(7) Uani 1 1 d . . . . .
H00U H 0.4887 0.3736 0.6533 0.021 Uiso 1 1 calc R . . . .
C00V C 0.34605(15) 0.1370(3) 0.74078(9) 0.0203(8) Uani 1 1 d . . . . .
H00V H 0.3152 0.0856 0.7301 0.024 Uiso 1 1 calc R . . . .
C00W C 0.25381(14) 0.6771(3) 0.55707(9) 0.0169(7) Uani 1 1 d . . . . .
H00W H 0.2884 0.7215 0.5606 0.020 Uiso 1 1 calc R . . . .
C00X C 0.41213(14) 0.2879(3) 0.73460(9) 0.0192(7) Uani 1 1 d . . . . .
H00X H 0.4266 0.3391 0.7198 0.023 Uiso 1 1 calc R . . . .
C00Y C 0.37480(15) -0.0239(3) 0.67883(9) 0.0195(7) Uani 1 1 d . . . . .
H00Y H 0.4066 0.0046 0.6977 0.023 Uiso 1 1 calc R . . . .
C00Z C 0.28512(14) 0.0089(3) 0.63150(9) 0.0172(7) Uani 1 1 d . . . . .
H00Z H 0.2557 0.0593 0.6182 0.021 Uiso 1 1 calc R . . . .
C010 C 0.41792(14) 0.0517(3) 0.60301(9) 0.0158(7) Uani 1 1 d . . . . .
H010 H 0.4479 0.0731 0.6240 0.019 Uiso 1 1 calc R . . . .
C011 C 0.26490(14) 0.4045(3) 0.71951(9) 0.0181(7) Uani 1 1 d . . . . .
C012 C 0.15267(14) 0.5475(3) 0.54578(9) 0.0176(7) Uani 1 1 d . . . . .
H012 H 0.1180 0.5029 0.5416 0.021 Uiso 1 1 calc R . . . .
C013 C 0.19761(15) 0.5917(3) 0.64585(9) 0.0197(7) Uani 1 1 d . . . . .
H013 H 0.2330 0.6336 0.6545 0.024 Uiso 1 1 calc R . . . .
C014 C 0.33068(15) -0.0108(3) 0.54120(9) 0.0193(7) Uani 1 1 d . . . . .
H014 H 0.3009 -0.0327 0.5201 0.023 Uiso 1 1 calc R . . . .
C015 C 0.14925(15) 0.6611(3) 0.53528(9) 0.0199(8) Uani 1 1 d . . . . .
H015 H 0.1122 0.6948 0.5243 0.024 Uiso 1 1 calc R . . . .
C016 C 0.37461(15) 0.5735(3) 0.53772(9) 0.0182(7) Uani 1 1 d . . . . .
H016 H 0.3402 0.5419 0.5218 0.022 Uiso 1 1 calc R . . . .
C017 C 0.41562(15) -0.0587(3) 0.58967(9) 0.0190(7) Uani 1 1 d . . . . .
H017 H 0.4437 -0.1135 0.6017 0.023 Uiso 1 1 calc R . . . .
C018 C 0.19974(14) 0.7255(3) 0.54075(9) 0.0200(7) Uani 1 1 d . . . . .
H018 H 0.1974 0.8031 0.5333 0.024 Uiso 1 1 calc R . . . .
C019 C 0.54761(15) 0.4088(3) 0.62467(10) 0.0232(8) Uani 1 1 d . . . . .
H019 H 0.5776 0.4365 0.6448 0.028 Uiso 1 1 calc R . . . .
C01A C 0.41799(15) 0.6180(3) 0.52371(10) 0.0207(8) Uani 1 1 d . . . . .
H01A H 0.4136 0.6161 0.4982 0.025 Uiso 1 1 calc R . . . .
C01B C 0.28281(16) -0.1072(3) 0.62314(10) 0.0232(8) Uani 1 1 d . . . . .
H01B H 0.2517 -0.1361 0.6040 0.028 Uiso 1 1 calc R . . . .
C01C C 0.36908(16) 0.1399(3) 0.77823(9) 0.0242(8) Uani 1 1 d . . . . .
H01C H 0.3542 0.0902 0.7932 0.029 Uiso 1 1 calc R . . . .
C01D C 0.51236(15) 0.3672(3) 0.56109(10) 0.0237(8) Uani 1 1 d . . . . .
H01D H 0.5179 0.3682 0.5374 0.028 Uiso 1 1 calc R . . . .
C01E C 0.32553(16) -0.1804(3) 0.64257(10) 0.0241(8) Uani 1 1 d . . . . .
H01E H 0.3234 -0.2595 0.6369 0.029 Uiso 1 1 calc R . . . .
C01F C 0.14641(14) 0.4124(3) 0.63569(9) 0.0233(8) Uani 1 1 d . . . . .
H01F H 0.1463 0.3315 0.6373 0.028 Uiso 1 1 calc R . . . .
C01G C 0.37153(16) -0.1392(3) 0.67033(10) 0.0233(8) Uani 1 1 d . . . . .
H01G H 0.4009 -0.1900 0.6835 0.028 Uiso 1 1 calc R . . . .
C01H C 0.37228(15) -0.0892(3) 0.55869(9) 0.0199(8) Uani 1 1 d . . . . .
H01H H 0.3712 -0.1647 0.5494 0.024 Uiso 1 1 calc R . . . .
C01I C 0.46777(15) 0.6652(3) 0.54691(10) 0.0231(8) Uani 1 1 d . . . . .
H01I H 0.4975 0.6962 0.5373 0.028 Uiso 1 1 calc R . . . .
C01J C 0.55639(15) 0.4066(3) 0.59030(10) 0.0242(8) Uani 1 1 d . . . . .
H01J H 0.5925 0.4321 0.5868 0.029 Uiso 1 1 calc R . . . .
C01K C 0.47447(15) 0.6674(3) 0.58401(10) 0.0224(8) Uani 1 1 d . . . . .
H01K H 0.5088 0.6999 0.5997 0.027 Uiso 1 1 calc R . . . .
C01L C 0.43450(15) 0.2907(3) 0.77199(9) 0.0227(8) Uani 1 1 d . . . . .
H01L H 0.4642 0.3443 0.7828 0.027 Uiso 1 1 calc R . . . .
C01M C 0.41382(16) 0.2155(3) 0.79376(9) 0.0253(8) Uani 1 1 d . . . . .
H01M H 0.4304 0.2159 0.8194 0.030 Uiso 1 1 calc R . . . .
C01N C 0.22159(16) 0.3416(3) 0.72929(10) 0.0253(8) Uani 1 1 d . . . . .
H01N H 0.1924 0.3034 0.7111 0.030 Uiso 1 1 calc R . . . .
C01O C 0.46050(15) 0.3263(3) 0.56603(9) 0.0205(8) Uani 1 1 d . . . . .
H01O H 0.4309 0.2975 0.5459 0.025 Uiso 1 1 calc R . . . .
C01P C 0.09457(16) 0.5877(3) 0.61745(9) 0.0267(9) Uani 1 1 d . . . . .
H01P H 0.0589 0.6266 0.6067 0.032 Uiso 1 1 calc R . . . .
C01Q C 0.30625(15) 0.4630(3) 0.74594(9) 0.0237(8) Uani 1 1 d . . . . .
H01Q H 0.3354 0.5074 0.7395 0.028 Uiso 1 1 calc R . . . .
C01R C 0.26254(18) 0.3917(4) 0.79158(10) 0.0341(10) Uani 1 1 d . . . . .
H01R H 0.2622 0.3865 0.8163 0.041 Uiso 1 1 calc R . . . .
C01S C 0.14576(16) 0.6491(3) 0.63025(9) 0.0255(8) Uani 1 1 d . . . . .
H01S H 0.1454 0.7300 0.6284 0.031 Uiso 1 1 calc R . . . .
C01T C 0.22088(17) 0.3346(3) 0.76537(10) 0.0301(9) Uani 1 1 d . . . . .
H01T H 0.1917 0.2905 0.7720 0.036 Uiso 1 1 calc R . . . .
C01U C 0.09487(15) 0.4709(4) 0.62010(10) 0.0295(9) Uani 1 1 d . . . . .
H01U H 0.0594 0.4297 0.6112 0.035 Uiso 1 1 calc R . . . .
C01V C 0.30480(17) 0.4563(4) 0.78226(10) 0.0330(9) Uani 1 1 d . . . . .
H01V H 0.3330 0.4964 0.8005 0.040 Uiso 1 1 calc R . . . .
C01W C 0.5509(2) 0.7226(5) 0.71756(12) 0.0549(14) Uani 1 1 d . . . . .
H01W H 0.5105 0.6950 0.7149 0.066 Uiso 1 1 calc R . . . .
H01X H 0.5764 0.6910 0.7404 0.066 Uiso 1 1 calc R . . . .
C1 C 0.4959(3) -0.0542(6) 0.51883(19) 0.0268(17) Uani 0.5 1 d D . P A -1
H1A H 0.4598 -0.0948 0.5199 0.032 Uiso 0.5 1 calc R . P A -1
H1B H 0.5280 -0.0837 0.5391 0.032 Uiso 0.5 1 calc R . P A -1
Cl Cl 0.5113(6) -0.0933(9) 0.4783(4) 0.0330(16) Uani 0.5 1 d D . P A -1
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'
Cl Cl 0.1484 0.1585 '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'
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
_geom_angle_publ_flag
P03 Cu01 Cl05 120.14(3) . . ?
P03 Cu01 C00R 94.91(8) . . ?
P04 Cu01 P03 113.05(3) . . ?
P04 Cu01 Cl05 118.68(3) . . ?
P04 Cu01 C00R 94.95(8) . . ?
Cl05 Cu01 C00R 108.13(8) . . ?
C00I P002 C00M 107.38(15) . . ?
C00P P002 C00I 106.09(14) . . ?
C00P P002 C00M 107.82(14) . . ?
C00R P002 C00I 116.12(15) . . ?
C00R P002 C00M 111.06(15) . . ?
C00R P002 C00P 107.98(15) . . ?
C00H P03 Cu01 122.85(10) . . ?
C00H P03 C00M 101.76(14) . . ?
C00M P03 Cu01 100.93(10) . . ?
C00N P03 Cu01 121.25(11) . . ?
C00N P03 C00H 103.83(14) . . ?
C00N P03 C00M 102.28(14) . . ?
C00L P04 Cu01 101.42(10) . . ?
C00Q P04 Cu01 118.05(11) . . ?
C00Q P04 C00L 105.33(15) . . ?
C00Q P04 C011 102.18(14) . . ?
C011 P04 Cu01 124.94(11) . . ?
C011 P04 C00L 102.33(15) . . ?
C00J P006 C00L 107.01(15) . . ?
C00O P006 C00J 105.75(15) . . ?
C00O P006 C00L 108.58(14) . . ?
C00R P006 C00J 117.56(14) . . ?
C00R P006 C00L 110.15(15) . . ?
C00R P006 C00O 107.44(15) . . ?
F00C P007 F00B 179.72(13) . . ?
F00C P007 F00E 90.03(12) . . ?
F00C P007 F00G 91.34(13) . . ?
F00D P007 F00B 89.42(11) . . ?
F00D P007 F00C 90.54(12) . . ?
F00D P007 F00E 90.12(13) . . ?
F00D P007 F00F 90.59(14) . . ?
F00D P007 F00G 178.10(14) . . ?
F00E P007 F00B 89.69(11) . . ?
F00F P007 F00B 89.39(11) . . ?
F00F P007 F00C 90.89(12) . . ?
F00F P007 F00E 178.83(14) . . ?
F00F P007 F00G 89.63(14) . . ?
F00G P007 F00B 88.70(12) . . ?
F00G P007 F00E 89.63(14) . . ?
C00S C00H P03 120.8(2) . . ?
C00W C00H P03 120.1(2) . . ?
C00W C00H C00S 118.8(3) . . ?
C00K C00I P002 123.3(2) . . ?
C00K C00I C010 120.0(3) . . ?
C010 C00I P002 116.7(2) . . ?
C00Y C00J P006 119.0(2) . . ?
C00Z C00J P006 120.7(3) . . ?
C00Z C00J C00Y 120.2(3) . . ?
C00I C00K H00K 120.2 . . ?
C014 C00K C00I 119.7(3) . . ?
C014 C00K H00K 120.2 . . ?
P04 C00L H00A 110.2 . . ?
P04 C00L H00B 110.2 . . ?
P006 C00L P04 107.38(16) . . ?
P006 C00L H00A 110.2 . . ?
P006 C00L H00B 110.2 . . ?
H00A C00L H00B 108.5 . . ?
P002 C00M P03 109.60(16) . . ?
P002 C00M H00C 109.8 . . ?
P002 C00M H00D 109.8 . . ?
P03 C00M H00C 109.8 . . ?
P03 C00M H00D 109.8 . . ?
H00C C00M H00D 108.2 . . ?
C00T C00N P03 119.3(2) . . ?
C00T C00N C016 119.9(3) . . ?
C016 C00N P03 120.6(2) . . ?
C00V C00O P006 118.1(2) . . ?
C00X C00O P006 122.1(2) . . ?
C00X C00O C00V 119.7(3) . . ?
C00U C00P P002 124.3(2) . . ?
C00U C00P C01O 119.6(3) . . ?
C01O C00P P002 116.1(2) . . ?
C013 C00Q P04 115.5(3) . . ?
C01F C00Q P04 125.3(3) . . ?
C01F C00Q C013 119.2(3) . . ?
Cu01 C00R H00R 108.0 . . ?
P002 C00R Cu01 103.94(14) . . ?
P002 C00R P006 125.04(19) . . ?
P002 C00R H00R 108.0 . . ?
P006 C00R Cu01 102.76(14) . . ?
P006 C00R H00R 108.0 . . ?
C00H C00S H00S 119.8 . . ?
C012 C00S C00H 120.4(3) . . ?
C012 C00S H00S 119.8 . . ?
C00N C00T H00T 120.3 . . ?
C01K C00T C00N 119.3(3) . . ?
C01K C00T H00T 120.3 . . ?
C00P C00U H00U 119.8 . . ?
C00P C00U C019 120.3(3) . . ?
C019 C00U H00U 119.8 . . ?
C00O C00V H00V 120.0 . . ?
C01C C00V C00O 120.0(3) . . ?
C01C C00V H00V 120.0 . . ?
C00H C00W H00W 119.8 . . ?
C018 C00W C00H 120.4(3) . . ?
C018 C00W H00W 119.8 . . ?
C00O C00X H00X 120.1 . . ?
C01L C00X C00O 119.8(3) . . ?
C01L C00X H00X 120.1 . . ?
C00J C00Y H00Y 120.2 . . ?
C01G C00Y C00J 119.7(3) . . ?
C01G C00Y H00Y 120.2 . . ?
C00J C00Z H00Z 120.4 . . ?
C00J C00Z C01B 119.2(3) . . ?
C01B C00Z H00Z 120.4 . . ?
C00I C010 H010 120.2 . . ?
C017 C010 C00I 119.7(3) . . ?
C017 C010 H010 120.2 . . ?
C01N C011 P04 121.5(3) . . ?
C01Q C011 P04 118.8(3) . . ?
C01Q C011 C01N 119.6(3) . . ?
C00S C012 H012 119.9 . . ?
C00S C012 C015 120.2(3) . . ?
C015 C012 H012 119.9 . . ?
C00Q C013 H013 119.7 . . ?
C01S C013 C00Q 120.6(3) . . ?
C01S C013 H013 119.7 . . ?
C00K C014 H014 120.0 . . ?
C01H C014 C00K 120.1(3) . . ?
C01H C014 H014 120.0 . . ?
C012 C015 H015 120.0 . . ?
C018 C015 C012 120.0(3) . . ?
C018 C015 H015 120.0 . . ?
C00N C016 H016 119.9 . . ?
C01A C016 C00N 120.1(3) . . ?
C01A C016 H016 119.9 . . ?
C010 C017 H017 120.0 . . ?
C010 C017 C01H 120.0(3) . . ?
C01H C017 H017 120.0 . . ?
C00W C018 H018 119.9 . . ?
C015 C018 C00W 120.2(3) . . ?
C015 C018 H018 119.9 . . ?
C00U C019 H019 120.0 . . ?
C01J C019 C00U 120.0(3) . . ?
C01J C019 H019 120.0 . . ?
C016 C01A H01A 120.1 . . ?
C016 C01A C01I 119.8(3) . . ?
C01I C01A H01A 120.1 . . ?
C00Z C01B H01B 119.8 . . ?
C01E C01B C00Z 120.3(3) . . ?
C01E C01B H01B 119.8 . . ?
C00V C01C H01C 120.0 . . ?
C01M C01C C00V 120.0(3) . . ?
C01M C01C H01C 120.0 . . ?
C01J C01D H01D 119.6 . . ?
C01O C01D H01D 119.6 . . ?
C01O C01D C01J 120.7(3) . . ?
C01B C01E H01E 119.8 . . ?
C01B C01E C01G 120.4(3) . . ?
C01G C01E H01E 119.8 . . ?
C00Q C01F H01F 120.2 . . ?
C01U C01F C00Q 119.5(3) . . ?
C01U C01F H01F 120.2 . . ?
C00Y C01G H01G 120.0 . . ?
C01E C01G C00Y 120.1(3) . . ?
C01E C01G H01G 120.0 . . ?
C014 C01H C017 120.5(3) . . ?
C014 C01H H01H 119.7 . . ?
C017 C01H H01H 119.7 . . ?
C01A C01I H01I 119.8 . . ?
C01K C01I C01A 120.3(3) . . ?
C01K C01I H01I 119.8 . . ?
C019 C01J C01D 119.7(3) . . ?
C019 C01J H01J 120.1 . . ?
C01D C01J H01J 120.1 . . ?
C00T C01K H01K 119.8 . . ?
C01I C01K C00T 120.5(3) . . ?
C01I C01K H01K 119.8 . . ?
C00X C01L H01L 119.8 . . ?
C00X C01L C01M 120.3(3) . . ?
C01M C01L H01L 119.8 . . ?
C01C C01M C01L 120.2(3) . . ?
C01C C01M H01M 119.9 . . ?
C01L C01M H01M 119.9 . . ?
C011 C01N H01N 119.8 . . ?
C01T C01N C011 120.4(4) . . ?
C01T C01N H01N 119.8 . . ?
C00P C01O H01O 120.2 . . ?
C01D C01O C00P 119.6(3) . . ?
C01D C01O H01O 120.2 . . ?
C01S C01P H01P 119.8 . . ?
C01U C01P H01P 119.8 . . ?
C01U C01P C01S 120.4(3) . . ?
C011 C01Q H01Q 120.2 . . ?
C011 C01Q C01V 119.5(3) . . ?
C01V C01Q H01Q 120.2 . . ?
C01T C01R H01R 119.7 . . ?
C01T C01R C01V 120.6(3) . . ?
C01V C01R H01R 119.7 . . ?
C013 C01S H01S 120.3 . . ?
C01P C01S C013 119.5(3) . . ?
C01P C01S H01S 120.3 . . ?
C01N C01T H01T 120.1 . . ?
C01R C01T C01N 119.7(4) . . ?
C01R C01T H01T 120.1 . . ?
C01F C01U H01U 119.6 . . ?
C01P C01U C01F 120.7(4) . . ?
C01P C01U H01U 119.6 . . ?
C01Q C01V H01V 119.9 . . ?
C01R C01V C01Q 120.1(4) . . ?
C01R C01V H01V 119.9 . . ?
Cl09 C01W H01W 109.5 . . ?
Cl09 C01W H01X 109.5 . . ?
Cl0A C01W Cl09 110.8(3) . . ?
Cl0A C01W H01W 109.5 . . ?
Cl0A C01W H01X 109.5 . . ?
H01W C01W H01X 108.1 . . ?
Cl10 C1 H1A 107.5 . . ?
Cl10 C1 H1B 107.5 . . ?
Cl10 C1 Cl 119.3(10) . . ?
H1A C1 H1B 107.0 . . ?
Cl C1 H1A 107.5 . . ?
Cl C1 H1B 107.5 . . ?
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
Cu01 P03 2.2672(9) . ?
Cu01 P04 2.2591(9) . ?
Cu01 Cl05 2.2778(9) . ?
Cu01 C00R 2.304(3) . ?
P002 C00I 1.801(3) . ?
P002 C00M 1.801(3) . ?
P002 C00P 1.800(3) . ?
P002 C00R 1.748(3) . ?
P03 C00H 1.828(3) . ?
P03 C00M 1.847(3) . ?
P03 C00N 1.823(3) . ?
P04 C00L 1.854(3) . ?
P04 C00Q 1.822(3) . ?
P04 C011 1.832(3) . ?
P006 C00J 1.807(3) . ?
P006 C00L 1.819(3) . ?
P006 C00O 1.802(3) . ?
P006 C00R 1.750(3) . ?
P007 F00B 1.623(2) . ?
P007 F00C 1.589(2) . ?
P007 F00D 1.588(2) . ?
P007 F00E 1.596(2) . ?
P007 F00F 1.588(2) . ?
P007 F00G 1.594(2) . ?
Cl10 C1 1.626(11) . ?
Cl09 C01W 1.765(5) . ?
Cl0A C01W 1.751(5) . ?
C00H C00S 1.398(4) . ?
C00H C00W 1.397(4) . ?
C00I C00K 1.392(4) . ?
C00I C010 1.401(4) . ?
C00J C00Y 1.398(5) . ?
C00J C00Z 1.393(5) . ?
C00K H00K 0.9500 . ?
C00K C014 1.392(5) . ?
C00L H00A 0.9900 . ?
C00L H00B 0.9900 . ?
C00M H00C 0.9900 . ?
C00M H00D 0.9900 . ?
C00N C00T 1.392(4) . ?
C00N C016 1.399(4) . ?
C00O C00V 1.397(4) . ?
C00O C00X 1.397(5) . ?
C00P C00U 1.382(5) . ?
C00P C01O 1.402(4) . ?
C00Q C013 1.394(5) . ?
C00Q C01F 1.394(5) . ?
C00R H00R 1.0000 . ?
C00S H00S 0.9500 . ?
C00S C012 1.382(4) . ?
C00T H00T 0.9500 . ?
C00T C01K 1.390(5) . ?
C00U H00U 0.9500 . ?
C00U C019 1.390(5) . ?
C00V H00V 0.9500 . ?
C00V C01C 1.386(5) . ?
C00W H00W 0.9500 . ?
C00W C018 1.386(5) . ?
C00X H00X 0.9500 . ?
C00X C01L 1.382(5) . ?
C00Y H00Y 0.9500 . ?
C00Y C01G 1.386(5) . ?
C00Z H00Z 0.9500 . ?
C00Z C01B 1.395(5) . ?
C010 H010 0.9500 . ?
C010 C017 1.386(4) . ?
C011 C01N 1.394(5) . ?
C011 C01Q 1.383(5) . ?
C012 H012 0.9500 . ?
C012 C015 1.387(5) . ?
C013 H013 0.9500 . ?
C013 C01S 1.386(5) . ?
C014 H014 0.9500 . ?
C014 C01H 1.381(5) . ?
C015 H015 0.9500 . ?
C015 C018 1.382(5) . ?
C016 H016 0.9500 . ?
C016 C01A 1.383(4) . ?
C017 H017 0.9500 . ?
C017 C01H 1.387(5) . ?
C018 H018 0.9500 . ?
C019 H019 0.9500 . ?
C019 C01J 1.384(5) . ?
C01A H01A 0.9500 . ?
C01A C01I 1.385(5) . ?
C01B H01B 0.9500 . ?
C01B C01E 1.380(5) . ?
C01C H01C 0.9500 . ?
C01C C01M 1.386(5) . ?
C01D H01D 0.9500 . ?
C01D C01J 1.385(5) . ?
C01D C01O 1.379(5) . ?
C01E H01E 0.9500 . ?
C01E C01G 1.386(5) . ?
C01F H01F 0.9500 . ?
C01F C01U 1.387(5) . ?
C01G H01G 0.9500 . ?
C01H H01H 0.9500 . ?
C01I H01I 0.9500 . ?
C01I C01K 1.382(5) . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01L C01M 1.388(5) . ?
C01M H01M 0.9500 . ?
C01N H01N 0.9500 . ?
C01N C01T 1.385(5) . ?
C01O H01O 0.9500 . ?
C01P H01P 0.9500 . ?
C01P C01S 1.381(5) . ?
C01P C01U 1.372(5) . ?
C01Q H01Q 0.9500 . ?
C01Q C01V 1.399(5) . ?
C01R H01R 0.9500 . ?
C01R C01T 1.375(6) . ?
C01R C01V 1.377(6) . ?
C01S H01S 0.9500 . ?
C01T H01T 0.9500 . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01W H01W 0.9900 . ?
C01W H01X 0.9900 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 Cl 1.745(12) . ?
