#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:48:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179541 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/10/4501038.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_4501038
loop_
_publ_author_name
'Janssen, Femke F. B. J.'
'Veraart, Laurens P. J.'
'Smits, Jan M. M.'
'de Gelder, René'
'Rowan, Alan E.'
_publ_contact_author
;
        Prof.dr. A.E. Rowan
        Radboud University Nijmegen
        Molecular Materials 
        Institute for Molecules and Materials
        Heyendaalseweg 135
        6525 AJ Nijmegen
        The Netherlands
;
_publ_section_title
;
 1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and
 Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4313
_journal_paper_doi               10.1021/cg2006502
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C50 H42 B Cl12 Cu F4 N2 P2'
_chemical_formula_weight         1308.55
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-07-27
_audit_creation_method           'SHELXL, adapted and expanded'
_cell_angle_alpha                67.131(8)
_cell_angle_beta                 89.524(5)
_cell_angle_gamma                72.358(9)
_cell_formula_units_Z            2
_cell_length_a                   12.8820(9)
_cell_length_b                   15.9637(15)
_cell_length_c                   16.7495(14)
_cell_measurement_reflns_used    300
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      25.000
_cell_measurement_theta_min      2.000
_cell_volume                     3000.8(5)
_computing_data_collection
;
Nonius "Collect" program suite (Nonius, 1999)
;
_computing_data_reduction
;
Nonius "EvalCCD" program suite (Duisenberg, 1998)
;
_computing_molecular_graphics
;
PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
;
_diffrn_ambient_temperature      208(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       'area detector φ and ω scan'
_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  0.0610
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            56801
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0.000
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS multiscan (Sheldrick, 1996)'
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rather regular thin platelet'
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.258
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.085
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         10479
_refine_ls_number_restraints     216
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1522
_refine_ls_R_factor_gt           0.1181
_refine_ls_R_factor_obs          0.1181
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_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)+(0.1149P)²+30.6012P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.3149
_refine_ls_wR_factor_gt          0.2964
_refine_ls_wR_factor_obs         0.2964
_refine_ls_wR_factor_ref         0.3149
_reflns_number_gt                7450
_reflns_number_observed          7450
_reflns_number_total             10479
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2006502_si_001.cif
_cod_data_source_block           FEMK92
_cod_depositor_comments
;
The following automatic conversions were performed:
'_publ_contact_autor' tag replaced with '_publ_contact_author'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (76
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (104 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3000.8(4)
_cod_database_code               4501038
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.19240(8) 0.10563(7) 0.21266(6) 0.0262(3) Uani 1 d .
C1 C 0.3176(7) -0.0130(7) 0.1180(6) 0.040(2) Uani 1 d .
H1 H 0.2775 -0.0538 0.1472 0.048 Uiso 1 calc R
C2 C 0.3925(8) -0.0418(7) 0.0683(6) 0.046(2) Uani 1 d .
H2 H 0.4010 -0.0995 0.0622 0.056 Uiso 1 calc R
C3 C 0.4571(7) 0.0155(6) 0.0263(5) 0.0328(19) Uani 1 d .
C4 C 0.4372(8) 0.0995(7) 0.0371(6) 0.040(2) Uani 1 d .
H4 H 0.4776 0.1409 0.0102 0.048 Uiso 1 calc R
C5 C 0.3580(8) 0.1232(7) 0.0872(6) 0.040(2) Uani 1 d .
H5 H 0.3458 0.1815 0.0931 0.048 Uiso 1 calc R
C6 C 0.0986(9) 0.2833(7) 0.0521(6) 0.052(3) Uani 1 d .
H6 H 0.1130 0.2371 0.0282 0.062 Uiso 1 calc R
C7 C 0.0491(9) 0.3771(7) -0.0018(6) 0.048(2) Uani 1 d .
H7 H 0.0299 0.3937 -0.0613 0.058 Uiso 1 calc R
C8 C 0.0263(7) 0.4487(6) 0.0290(5) 0.0345(19) Uani 1 d .
C9 C 0.0563(8) 0.4175(6) 0.1173(6) 0.044(2) Uani 1 d .
H9 H 0.0430 0.4624 0.1426 0.052 Uiso 1 calc R
C10 C 0.1054(8) 0.3212(6) 0.1688(6) 0.038(2) Uani 1 d .
H10 H 0.1240 0.3023 0.2288 0.046 Uiso 1 calc R
C11A C 0.2559(7) 0.1283(6) 0.4046(6) 0.0330(19) Uani 1 d .
C12A C 0.1442(7) 0.1515(7) 0.4110(6) 0.039(2) Uani 1 d .
H12A H 0.0983 0.1392 0.3765 0.047 Uiso 1 calc R
C13A C 0.1005(8) 0.1923(8) 0.4675(7) 0.050(3) Uani 1 d .
H13A H 0.0252 0.2056 0.4730 0.060 Uiso 1 calc R
C14A C 0.1654(8) 0.2139(8) 0.5160(7) 0.053(3) Uani 1 d .
H14A H 0.1347 0.2429 0.5537 0.064 Uiso 1 calc R
C15A C 0.2759(9) 0.1925(9) 0.5089(7) 0.060(3) Uani 1 d .
H15A H 0.3208 0.2077 0.5414 0.072 Uiso 1 calc R
C16A C 0.3213(8) 0.1488(8) 0.4542(7) 0.048(2) Uani 1 d .
H16A H 0.3972 0.1330 0.4508 0.058 Uiso 1 calc R
C17A C 0.4276(7) 0.1152(7) 0.2959(6) 0.037(2) Uani 1 d .
C18A C 0.5353(8) 0.0541(8) 0.3155(7) 0.049(2) Uani 1 d .
H18A H 0.5509 -0.0122 0.3481 0.059 Uiso 1 calc R
C19A C 0.6215(8) 0.0916(10) 0.2866(8) 0.063(3) Uani 1 d .
H19A H 0.6945 0.0501 0.2992 0.076 Uiso 1 calc R
C20A C 0.5987(11) 0.1878(11) 0.2403(8) 0.071(4) Uani 1 d .
H20A H 0.6562 0.2122 0.2202 0.085 Uiso 1 calc R
C21A C 0.4931(9) 0.2495(9) 0.2225(7) 0.057(3) Uani 1 d .
H21A H 0.4782 0.3160 0.1916 0.069 Uiso 1 calc R
C22A C 0.4085(8) 0.2127(7) 0.2506(6) 0.048(2) Uani 1 d .
H22A H 0.3361 0.2552 0.2385 0.057 Uiso 1 calc R
C23A C 0.3746(6) -0.0546(6) 0.3969(6) 0.0328(19) Uani 1 d .
C24A C 0.3765(7) -0.0932(7) 0.4860(6) 0.039(2) Uani 1 d .
H24A H 0.3458 -0.0525 0.5143 0.047 Uiso 1 calc R
C25A C 0.4225(8) -0.1897(7) 0.5340(7) 0.049(2) Uani 1 d .
H25A H 0.4246 -0.2149 0.5951 0.059 Uiso 1 calc R
C26A C 0.4658(9) -0.2504(8) 0.4930(8) 0.058(3) Uani 1 d .
H26A H 0.4968 -0.3170 0.5259 0.069 Uiso 1 calc R
C27A C 0.4634(9) -0.2125(8) 0.4029(8) 0.055(3) Uani 1 d .
H27A H 0.4928 -0.2537 0.3748 0.067 Uiso 1 calc R
C28A C 0.4186(8) -0.1154(7) 0.3543(7) 0.046(2) Uani 1 d .
H28A H 0.4173 -0.0899 0.2933 0.056 Uiso 1 calc R
C11B C 0.0635(7) -0.0694(6) 0.2696(5) 0.0324(19) Uani 1 d .
C12B C 0.1571(9) -0.1287(8) 0.3235(9) 0.069(3) Uani 1 d .
H12B H 0.2102 -0.1026 0.3322 0.082 Uiso 1 calc R
C13B C 0.1770(11) -0.2263(9) 0.3659(9) 0.083(4) Uani 1 d .
H13B H 0.2417 -0.2655 0.4046 0.099 Uiso 1 calc R
C14B C 0.1029(11) -0.2657(9) 0.3516(8) 0.066(3) Uani 1 d .
H14B H 0.1169 -0.3324 0.3791 0.079 Uiso 1 calc R
C15B C 0.0103(11) -0.2090(9) 0.2985(8) 0.062(3) Uani 1 d .
H15B H -0.0407 -0.2366 0.2890 0.075 Uiso 1 calc R
C16B C -0.0129(8) -0.1110(7) 0.2572(6) 0.046(2) Uani 1 d .
H16B H -0.0796 -0.0723 0.2208 0.055 Uiso 1 calc R
C17B C -0.0440(7) 0.1010(7) 0.1173(6) 0.038(2) Uani 1 d .
C18B C 0.0083(9) 0.0979(8) 0.0450(6) 0.051(3) Uani 1 d .
H18B H 0.0853 0.0743 0.0501 0.061 Uiso 1 calc R
C19B C -0.0542(11) 0.1300(9) -0.0346(7) 0.066(3) Uani 1 d .
H19B H -0.0182 0.1249 -0.0824 0.080 Uiso 1 calc R
C20B C -0.1624(13) 0.1673(9) -0.0459(9) 0.078(4) Uani 1 d .
H20B H -0.2020 0.1921 -0.1015 0.093 Uiso 1 calc R
C21B C -0.2166(10) 0.1693(11) 0.0259(9) 0.077(4) Uani 1 d .
H21B H -0.2937 0.1925 0.0200 0.093 Uiso 1 calc R
C22B C -0.1563(9) 0.1372(9) 0.1054(8) 0.067(3) Uani 1 d .
H22B H -0.1933 0.1401 0.1533 0.080 Uiso 1 calc R
C23B C -0.0502(7) 0.1064(7) 0.2862(6) 0.038(2) Uani 1 d .
C24B C -0.0672(7) 0.0490(8) 0.3684(6) 0.043(2) Uani 1 d .
H24B H -0.0378 -0.0182 0.3883 0.052 Uiso 1 calc R
C25B C -0.1261(8) 0.0880(9) 0.4217(7) 0.051(3) Uani 1 d .
H25B H -0.1375 0.0475 0.4769 0.062 Uiso 1 calc R
C26B C -0.1678(8) 0.1850(9) 0.3944(7) 0.055(3) Uani 1 d .
H26B H -0.2066 0.2115 0.4314 0.066 Uiso 1 calc R
C27B C -0.1535(8) 0.2450(8) 0.3128(7) 0.050(3) Uani 1 d .
H27B H -0.1822 0.3121 0.2942 0.061 Uiso 1 calc R
C28B C -0.0958(7) 0.2050(7) 0.2582(7) 0.042(2) Uani 1 d .
H28B H -0.0880 0.2455 0.2018 0.051 Uiso 1 calc R
N1 N 0.2973(6) 0.0685(5) 0.1281(5) 0.0349(16) Uani 1 d .
N2 N 0.1278(6) 0.2537(5) 0.1373(4) 0.0326(16) Uani 1 d .
P1 P 0.31076(17) 0.07357(16) 0.32841(14) 0.0295(5) Uani 1 d .
P2 P 0.04196(17) 0.05884(16) 0.21999(14) 0.0308(5) Uani 1 d .
B1 B 0.4624(14) 0.6919(11) 0.2022(11) 0.071(4) Uani 1 d .
F1 F 0.4786(11) 0.7260(6) 0.1155(7) 0.143(5) Uani 1 d U
F2 F 0.4680(16) 0.6018(10) 0.2237(9) 0.195(7) Uani 1 d U
F3 F 0.3659(8) 0.7416(11) 0.2128(7) 0.157(5) Uani 1 d U
F4 F 0.5397(10) 0.6928(14) 0.2483(11) 0.202(7) Uani 1 d U
C29 C 0.7518(12) 0.4646(10) 0.7692(9) 0.104(4) Uani 1 d DU
H29 H 0.7110 0.4264 0.7572 0.124 Uiso 1 calc R
Cl1 Cl 0.8893(4) 0.4064(4) 0.7780(4) 0.136(2) Uani 1 d DU
Cl2 Cl 0.7218(5) 0.4711(5) 0.8702(4) 0.1407(19) Uani 1 d DU
Cl3 Cl 0.7105(7) 0.5764(5) 0.6884(4) 0.180(3) Uani 1 d DU
C30 C 0.3589(14) 0.4597(9) -0.0956(8) 0.106(5) Uani 1 d DU
H30 H 0.4251 0.4375 -0.1220 0.127 Uiso 1 calc R
Cl4 Cl 0.3698(7) 0.3767(3) 0.0097(3) 0.155(3) Uani 1 d DU
Cl5 Cl 0.2416(5) 0.4684(6) -0.1570(4) 0.172(3) Uani 1 d DU
Cl6 Cl 0.3479(9) 0.5695(4) -0.0989(5) 0.203(4) Uani 1 d DU
C31 C 0.7172(11) 0.7926(11) 0.1933(8) 0.113(4) Uani 1 d DU
H31 H 0.6537 0.7830 0.1695 0.136 Uiso 1 calc R
Cl7 Cl 0.8115(4) 0.7998(6) 0.1244(3) 0.175(3) Uani 1 d DU
Cl8 Cl 0.7780(8) 0.6960(8) 0.2955(5) 0.263(5) Uani 1 d DU
Cl9 Cl 0.6757(5) 0.8818(8) 0.2250(6) 0.230(4) Uani 1 d DU
C32 C 0.7255(17) 0.5082(15) 0.3982(15) 0.263(9) Uani 1 d DU
H32 H 0.6925 0.5657 0.3435 0.316 Uiso 1 calc R
Cl10 Cl 0.6809(11) 0.4173(5) 0.4039(6) 0.285(5) Uani 1 d DU
Cl11 Cl 0.8637(11) 0.4476(9) 0.3907(8) 0.317(6) Uani 1 d DU
Cl12 Cl 0.7241(10) 0.5391(6) 0.4832(5) 0.289(6) Uani 1 d DU
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'
P P 0.1023 0.0942 '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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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_3
_geom_angle_publ_flag
N1 Cu1 N2 98.4(3) . y
N1 Cu1 P2 113.8(2) . y
N2 Cu1 P2 102.3(2) . y
N1 Cu1 P1 102.6(2) . y
N2 Cu1 P1 111.0(2) . y
P2 Cu1 P1 125.65(9) . y
N1 C1 C2 124.6(8) . y
C1 C2 C3 119.4(8) . y
C4 C3 C2 116.3(8) . y
C4 C3 C3 122.8(10) 2_655 y
C2 C3 C3 120.9(10) 2_655 y
C3 C4 C5 119.8(8) . y
N1 C5 C4 124.1(8) . y
N2 C6 C7 123.0(8) . y
C6 C7 C8 121.4(9) . y
C9 C8 C7 115.2(8) . y
C9 C8 C8 122.8(10) 2_565 y
C7 C8 C8 122.0(9) 2_565 y
C10 C9 C8 120.7(8) . y
N2 C10 C9 122.9(8) . y
C16A C11A C12A 119.0(8) . y
C16A C11A P1 122.3(7) . y
C12A C11A P1 118.7(6) . y
C13A C12A C11A 120.1(8) . y
C14A C13A C12A 120.8(9) . y
C13A C14A C15A 119.3(9) . y
C14A C15A C16A 120.4(9) . y
C11A C16A C15A 120.4(9) . y
C22A C17A C18A 118.2(8) . y
C22A C17A P1 118.6(7) . y
C18A C17A P1 123.3(8) . y
C17A C18A C19A 120.0(10) . y
C20A C19A C18A 119.8(10) . y
C19A C20A C21A 121.0(10) . y
C20A C21A C22A 119.2(11) . y
C17A C22A C21A 121.8(10) . y
C24A C23A C28A 119.6(9) . y
C24A C23A P1 123.1(7) . y
C28A C23A P1 117.2(7) . y
C25A C24A C23A 120.9(9) . y
C24A C25A C26A 120.1(10) . y
C25A C26A C27A 119.6(10) . y
C28A C27A C26A 120.6(10) . y
C27A C28A C23A 119.2(10) . y
C12B C11B C16B 117.5(9) . y
C12B C11B P2 118.8(7) . y
C16B C11B P2 123.7(7) . y
C11B C12B C13B 121.9(11) . y
C14B C13B C12B 119.8(11) . y
C15B C14B C13B 119.5(11) . y
C14B C15B C16B 121.9(10) . y
C15B C16B C11B 119.4(10) . y
C22B C17B C18B 117.4(9) . y
C22B C17B P2 124.9(8) . y
C18B C17B P2 117.7(7) . y
C19B C18B C17B 119.5(10) . y
C20B C19B C18B 122.6(12) . y
C19B C20B C21B 118.9(11) . y
C22B C21B C20B 119.3(12) . y
C17B C22B C21B 122.3(12) . y
C28B C23B C24B 117.9(9) . y
C28B C23B P2 118.8(7) . y
C24B C23B P2 122.9(7) . y
C25B C24B C23B 121.6(10) . y
C26B C25B C24B 119.9(10) . y
C25B C26B C27B 120.5(9) . y
C26B C27B C28B 119.4(10) . y
C23B C28B C27B 120.7(9) . y
C1 N1 C5 115.7(7) . y
C1 N1 Cu1 123.9(6) . y
C5 N1 Cu1 120.0(6) . y
C10 N2 C6 116.8(7) . y
C10 N2 Cu1 125.0(6) . y
C6 N2 Cu1 118.0(6) . y
C17A P1 C23A 103.4(4) . y
C17A P1 C11A 103.1(4) . y
C23A P1 C11A 105.1(4) . y
C17A P1 Cu1 112.8(3) . y
C23A P1 Cu1 114.3(3) . y
C11A P1 Cu1 116.7(3) . y
C11B P2 C23B 104.1(4) . y
C11B P2 C17B 104.0(4) . y
C23B P2 C17B 103.8(4) . y
C11B P2 Cu1 117.2(3) . y
C23B P2 Cu1 109.7(3) . y
C17B P2 Cu1 116.5(3) . y
F4 B1 F3 111.9(15) . y
F4 B1 F2 108.4(17) . y
F3 B1 F2 110.3(15) . y
F4 B1 F1 109.9(15) . y
F3 B1 F1 110.7(14) . y
F2 B1 F1 105.4(14) . y
Cl3 C29 Cl1 112.9(9) . y
Cl3 C29 Cl2 109.7(8) . y
Cl1 C29 Cl2 108.3(8) . y
Cl6 C30 Cl4 111.7(8) . y
Cl6 C30 Cl5 109.3(9) . y
Cl4 C30 Cl5 109.0(8) . y
Cl9 C31 Cl7 115.9(9) . y
Cl9 C31 Cl8 99.7(8) . y
Cl7 C31 Cl8 109.0(9) . y
Cl12 C32 Cl10 120.6(15) . y
Cl12 C32 Cl11 108.7(12) . y
Cl10 C32 Cl11 93.9(10) . y
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 N1 2.078(7) . y
Cu1 N2 2.093(7) . y
Cu1 P2 2.265(2) . y
Cu1 P1 2.269(2) . y
C1 N1 1.325(11) . y
C1 C2 1.360(12) . y
C2 C3 1.405(12) . y
C3 C4 1.370(12) . y
C3 C3 1.494(15) 2_655 y
C4 C5 1.373(12) . y
C5 N1 1.335(11) . y
C6 N2 1.334(12) . y
C6 C7 1.358(13) . y
C7 C8 1.383(12) . y
C8 C9 1.380(12) . y
C8 C8 1.479(16) 2_565 y
C9 C10 1.377(12) . y
C10 N2 1.331(11) . y
C11A C16A 1.378(12) . y
C11A C12A 1.387(12) . y
C11A P1 1.835(9) . y
C12A C13A 1.373(13) . y
C13A C14A 1.372(14) . y
C14A C15A 1.376(14) . y
C15A C16A 1.381(14) . y
C17A C22A 1.383(13) . y
C17A C18A 1.386(13) . y
C17A P1 1.821(8) . y
C18A C19A 1.412(14) . y
C19A C20A 1.360(17) . y
C20A C21A 1.369(17) . y
C21A C22A 1.385(13) . y
C23A C24A 1.373(12) . y
C23A C28A 1.403(13) . y
C23A P1 1.830(9) . y
C24A C25A 1.366(13) . y
C25A C26A 1.380(15) . y
C26A C27A 1.388(16) . y
C27A C28A 1.373(14) . y
C11B C12B 1.352(14) . y
C11B C16B 1.400(12) . y
C11B P2 1.816(9) . y
C12B C13B 1.377(16) . y
C13B C14B 1.360(17) . y
C14B C15B 1.331(17) . y
C15B C16B 1.376(15) . y
C17B C22B 1.369(14) . y
C17B C18B 1.390(13) . y
C17B P2 1.822(9) . y
C18B C19B 1.388(15) . y
C19B C20B 1.321(18) . y
C20B C21B 1.392(19) . y
C21B C22B 1.372(16) . y
C23B C28B 1.383(13) . y
C23B C24B 1.386(13) . y
C23B P2 1.817(9) . y
C24B C25B 1.376(13) . y
C25B C26B 1.359(16) . y
C26B C27B 1.379(15) . y
C27B C28B 1.397(13) . y
B1 F4 1.273(18) . y
B1 F3 1.309(18) . y
B1 F2 1.318(18) . y
B1 F1 1.377(18) . y
C29 Cl3 1.691(13) . y
C29 Cl1 1.709(14) . y
C29 Cl2 1.768(13) . y
C30 Cl6 1.693(13) . y
C30 Cl4 1.721(12) . y
C30 Cl5 1.774(14) . y
C31 Cl9 1.648(14) . y
C31 Cl7 1.666(13) . y
C31 Cl8 1.778(14) . y
C32 Cl12 1.676(17) . y
C32 Cl10 1.686(17) . y
C32 Cl11 1.780(17) . y
