#------------------------------------------------------------------------------
#$Date: 2016-08-07 10:35:35 +0200 (dom 07 de ago de 2016) $
#$Revision: 185278 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/48/7224848.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_7224848
loop_
_publ_author_name
'Li, Xiaoyue'
'Zhang, Juanye'
'Wei, Feng'
'Liu, Xiaochen'
'Liu, Zhiwei'
'Bian, Zuqiang'
'Huang, Chunhui'
_publ_section_title
;
 A series of dinuclear cuprous iodide complexes chelated with
 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical
 and thermal properties
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              4388
_journal_paper_doi               10.1039/C5CE02533H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C64 H56 Cu2 I2 O4 P4, 3(C H2 Cl2)'
_chemical_formula_sum            'C67 H62 Cl6 Cu2 I2 O4 P4'
_chemical_formula_weight         1648.63
_chemical_name_common            '[Cu(μ-I)OMe-dppb]2'
_chemical_name_systematic
'4,5-dimethoxyl-1,2-bis(diphenylphosphino) benzene'
_chemical_properties_physical    'Efflorescent, Oxygen-sensitive'
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-12-12
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2015-12-21 deposited with the CCDC.
2016-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 113.268(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.5414(11)
_cell_length_b                   14.5730(6)
_cell_length_c                   26.9535(14)
_cell_measurement_reflns_used    7075
_cell_measurement_temperature    180.01(10)
_cell_measurement_theta_max      26.6970
_cell_measurement_theta_min      3.1590
_cell_volume                     7051.4(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      180.01(10)
_diffrn_detector_area_resol_mean 10.3914
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -59.00   35.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       10.7017  -57.0000  150.0000 94

  2 omega  -20.00   53.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       10.7017  -99.0000   60.0000 73

  3 omega  -14.00   79.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       10.7017   57.0000  -60.0000 93
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0183027000
_diffrn_orient_matrix_UB_12      -0.0385453000
_diffrn_orient_matrix_UB_13      0.0156905000
_diffrn_orient_matrix_UB_21      0.0347786000
_diffrn_orient_matrix_UB_22      0.0172734000
_diffrn_orient_matrix_UB_23      0.0016147000
_diffrn_orient_matrix_UB_31      0.0043117000
_diffrn_orient_matrix_UB_32      0.0241432000
_diffrn_orient_matrix_UB_33      0.0238922000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            21359
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.17
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.842
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'green '
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prims
_exptl_crystal_F_000             3288
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane /n-pentane '
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.914
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         6918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0392P)²+14.2922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1039
_reflns_number_gt                5114
_reflns_number_total             6918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02533h2.cif
_cod_data_source_block           exp_6324
_cod_depositor_comments
'Adding full bibliography for 7224847--7224849.cif.'
_cod_original_cell_volume        7051.5(6)
_cod_database_code               7224848
_chemical_oxdiff_formula         'C1 H1 O1 Cu1'
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H34A(0.5) H34B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C34(H34A,H34B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32)
3.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 '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_calc_flag
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cu1 Cu 0.49104(3) 0.79290(4) 0.299623(19) 0.03439(14) Uani 1 d 1 . . .
C1 C 0.3954(2) 0.7997(3) 0.37177(15) 0.0302(9) Uani 1 d 1 . . .
C2 C 0.3965(2) 0.8917(3) 0.35693(14) 0.0296(9) Uani 1 d 1 . . .
C3 C 0.3428(2) 0.9519(3) 0.36082(15) 0.0313(9) Uani 1 d 1 . . .
H3 H 0.3430 1.0144 0.3509 0.038 Uiso 1 calc 1 R . .
C4 C 0.2899(2) 0.9218(3) 0.37874(15) 0.0328(10) Uani 1 d 1 . . .
C5 C 0.2890(2) 0.8296(3) 0.39380(15) 0.0312(9) Uani 1 d 1 . . .
C6 C 0.3422(2) 0.7695(3) 0.39069(15) 0.0316(9) Uani 1 d 1 . . .
H6 H 0.3425 0.7074 0.4015 0.038 Uiso 1 calc 1 R . .
C7 C 0.2382(3) 1.0696(4) 0.3730(2) 0.0703(17) Uani 1 d 1 . . .
H7A H 0.2856 1.0956 0.3980 0.105 Uiso 1 calc 1 GR . .
H7B H 0.1969 1.1010 0.3778 0.105 Uiso 1 calc 1 GR . .
H7C H 0.2339 1.0780 0.3358 0.105 Uiso 1 calc 1 GR . .
C8 C 0.2342(3) 0.7147(4) 0.4290(2) 0.0560(14) Uani 1 d 1 . . .
H8A H 0.2280 0.6720 0.3994 0.084 Uiso 1 calc 1 GR . .
H8B H 0.1929 0.7070 0.4405 0.084 Uiso 1 calc 1 GR . .
H8C H 0.2815 0.7020 0.4594 0.084 Uiso 1 calc 1 GR . .
C9 C 0.5408(2) 0.7243(3) 0.43245(17) 0.0332(10) Uani 1 d 1 . . .
C10 C 0.5357(3) 0.7604(4) 0.47805(19) 0.0513(13) Uani 1 d 1 . . .
H10 H 0.4899 0.7862 0.4757 0.062 Uiso 1 calc 1 R . .
C11 C 0.5956(3) 0.7598(4) 0.5269(2) 0.0625(15) Uani 1 d 1 . . .
H11 H 0.5909 0.7858 0.5578 0.075 Uiso 1 calc 1 R . .
C12 C 0.6620(3) 0.7222(4) 0.5314(2) 0.0551(14) Uani 1 d 1 . . .
H12 H 0.7033 0.7212 0.5653 0.066 Uiso 1 calc 1 R . .
C13 C 0.6679(3) 0.6857(4) 0.4862(2) 0.0577(14) Uani 1 d 1 . . .
H13 H 0.7137 0.6597 0.4887 0.069 Uiso 1 calc 1 R . .
C14 C 0.6078(3) 0.6869(4) 0.4374(2) 0.0499(12) Uani 1 d 1 . . .
H14 H 0.6126 0.6613 0.4065 0.060 Uiso 1 calc 1 R . .
C15 C 0.4234(2) 0.6090(3) 0.36296(17) 0.0343(10) Uani 1 d 1 . . .
C16 C 0.4371(3) 0.5543(3) 0.4079(2) 0.0489(12) Uani 1 d 1 . . .
H16 H 0.4703 0.5751 0.4424 0.059 Uiso 1 calc 1 R . .
C17 C 0.4030(3) 0.4695(4) 0.4031(2) 0.0625(15) Uani 1 d 1 . . .
H17 H 0.4128 0.4331 0.4345 0.075 Uiso 1 calc 1 R . .
C18 C 0.3557(3) 0.4376(4) 0.3541(3) 0.0645(16) Uani 1 d 1 . . .
H18 H 0.3328 0.3792 0.3511 0.077 Uiso 1 calc 1 R . .
C19 C 0.3413(3) 0.4909(4) 0.3092(2) 0.0718(17) Uani 1 d 1 . . .
H19 H 0.3082 0.4692 0.2749 0.086 Uiso 1 calc 1 R . .
C20 C 0.3748(3) 0.5765(4) 0.3135(2) 0.0582(14) Uani 1 d 1 . . .
H20 H 0.3642 0.6128 0.2821 0.070 Uiso 1 calc 1 R . .
C21 C 0.5432(2) 0.9702(3) 0.39245(15) 0.0317(9) Uani 1 d 1 . . .
C22 C 0.5339(3) 1.0102(3) 0.43597(17) 0.0449(12) Uani 1 d 1 . . .
H22 H 0.4852 1.0171 0.4353 0.054 Uiso 1 calc 1 R . .
C23 C 0.5950(3) 1.0405(4) 0.48054(18) 0.0559(14) Uani 1 d 1 . . .
H23 H 0.5878 1.0684 0.5100 0.067 Uiso 1 calc 1 R . .
C24 C 0.6655(3) 1.0303(3) 0.48211(17) 0.0473(12) Uani 1 d 1 . . .
H24 H 0.7074 1.0501 0.5128 0.057 Uiso 1 calc 1 R . .
C25 C 0.6752(3) 0.9913(3) 0.43897(18) 0.0466(12) Uani 1 d 1 . . .
H25 H 0.7239 0.9854 0.4396 0.056 Uiso 1 calc 1 R . .
C26 C 0.6147(2) 0.9605(3) 0.39475(17) 0.0406(11) Uani 1 d 1 . . .
H26 H 0.6224 0.9324 0.3656 0.049 Uiso 1 calc 1 R . .
C27 C 0.4274(2) 1.0318(3) 0.29392(16) 0.0367(10) Uani 1 d 1 . . .
C28 C 0.3642(3) 1.0240(4) 0.24694(19) 0.0566(14) Uani 1 d 1 . . .
H28 H 0.3424 0.9653 0.2357 0.068 Uiso 1 calc 1 R . .
C29 C 0.3321(3) 1.1000(4) 0.2160(2) 0.0736(18) Uani 1 d 1 . . .
H29 H 0.2879 1.0936 0.1843 0.088 Uiso 1 calc 1 R . .
C30 C 0.3638(4) 1.1850(5) 0.2311(3) 0.087(2) Uani 1 d 1 . . .
H30 H 0.3424 1.2373 0.2095 0.104 Uiso 1 calc 1 R . .
C31 C 0.4254(4) 1.1934(5) 0.2766(3) 0.119(3) Uani 1 d 1 . . .
H31 H 0.4470 1.2523 0.2874 0.143 Uiso 1 calc 1 R . .
C32 C 0.4584(4) 1.1172(4) 0.3085(2) 0.083(2) Uani 1 d 1 . . .
H32 H 0.5023 1.1245 0.3403 0.099 Uiso 1 calc 1 R . .
C33 C 0.4157(3) 0.6046(4) 0.5838(2) 0.0732(18) Uani 1 d 1 . . .
H33A H 0.4553 0.5651 0.6092 0.088 Uiso 1 calc 1 R . .
H33B H 0.3743 0.6074 0.5962 0.088 Uiso 1 calc 1 R . .
C34 C 0.5000 0.5219(6) 0.2500 0.085(3) Uani 1 d 2 S T P
H34A H 0.4839 0.5619 0.2731 0.102 Uiso 0.50 calc 1 R . .
H34B H 0.5161 0.5619 0.2269 0.102 Uiso 0.50 calc 1 R . .
Cl1 Cl 0.38411(10) 0.55829(14) 0.52023(8) 0.1033(7) Uani 1 d 1 . . .
Cl2 Cl 0.45024(11) 0.71324(16) 0.58386(14) 0.1527(12) Uani 1 d 1 . . .
Cl3 Cl 0.57382(12) 0.45583(19) 0.29021(8) 0.1282(9) Uani 1 d 1 . . .
I1 I 0.620090(16) 0.76250(2) 0.295246(11) 0.03928(11) Uani 1 d 1 . . .
O1 O 0.23467(16) 0.8062(2) 0.41092(11) 0.0411(7) Uani 1 d 1 . . .
O2 O 0.23593(16) 0.9747(2) 0.38383(11) 0.0430(8) Uani 1 d 1 . . .
P1 P 0.46489(6) 0.72190(7) 0.36579(4) 0.0308(2) Uani 1 d 1 . . .
P2 P 0.46693(6) 0.92795(7) 0.33233(4) 0.0294(2) Uani 1 d 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'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 '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'
I I -0.4742 1.8119 '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
I1 Cu1 Cu1 56.640(18) 2_655 2_655
I1 Cu1 Cu1 58.32(2) . 2_655
I1 Cu1 I1 111.43(2) . 2_655
P1 Cu1 Cu1 152.33(3) . 2_655
P1 Cu1 I1 108.99(4) . 2_655
P1 Cu1 I1 118.43(3) . .
P2 Cu1 Cu1 119.12(3) . 2_655
P2 Cu1 I1 107.50(3) . 2_655
P2 Cu1 I1 121.00(4) . .
P2 Cu1 P1 86.85(4) . .
C2 C1 P1 118.2(3) . .
C6 C1 C2 120.2(4) . .
C6 C1 P1 121.6(3) . .
C1 C2 C3 118.7(4) . .
C1 C2 P2 118.6(3) . .
C3 C2 P2 122.7(3) . .
C2 C3 H3 119.5 . .
C4 C3 C2 121.1(4) . .
C4 C3 H3 119.5 . .
C3 C4 C5 120.3(4) . .
O2 C4 C3 125.3(4) . .
O2 C4 C5 114.5(4) . .
C6 C5 C4 119.3(4) . .
O1 C5 C4 116.1(4) . .
O1 C5 C6 124.6(4) . .
C1 C6 H6 119.8 . .
C5 C6 C1 120.5(4) . .
C5 C6 H6 119.8 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O2 C7 H7A 109.5 . .
O2 C7 H7B 109.5 . .
O2 C7 H7C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O1 C8 H8A 109.5 . .
O1 C8 H8B 109.5 . .
O1 C8 H8C 109.5 . .
C10 C9 P1 124.7(3) . .
C14 C9 C10 117.8(4) . .
C14 C9 P1 117.5(4) . .
C9 C10 H10 119.4 . .
C11 C10 C9 121.3(5) . .
C11 C10 H10 119.4 . .
C10 C11 H11 119.8 . .
C12 C11 C10 120.4(5) . .
C12 C11 H11 119.8 . .
C11 C12 H12 120.5 . .
C11 C12 C13 119.0(5) . .
C13 C12 H12 120.5 . .
C12 C13 H13 119.9 . .
C14 C13 C12 120.2(5) . .
C14 C13 H13 119.9 . .
C9 C14 H14 119.4 . .
C13 C14 C9 121.3(5) . .
C13 C14 H14 119.4 . .
C16 C15 P1 123.6(3) . .
C20 C15 C16 118.0(4) . .
C20 C15 P1 118.4(3) . .
C15 C16 H16 119.6 . .
C15 C16 C17 120.9(5) . .
C17 C16 H16 119.6 . .
C16 C17 H17 119.6 . .
C18 C17 C16 120.8(5) . .
C18 C17 H17 119.6 . .
C17 C18 H18 120.4 . .
C17 C18 C19 119.2(5) . .
C19 C18 H18 120.4 . .
C18 C19 H19 119.7 . .
C18 C19 C20 120.6(5) . .
C20 C19 H19 119.7 . .
C15 C20 C19 120.6(5) . .
C15 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C22 C21 P2 124.1(3) . .
C26 C21 C22 118.3(4) . .
C26 C21 P2 117.6(3) . .
C21 C22 H22 119.7 . .
C21 C22 C23 120.6(4) . .
C23 C22 H22 119.7 . .
C22 C23 H23 119.9 . .
C24 C23 C22 120.2(4) . .
C24 C23 H23 119.9 . .
C23 C24 H24 120.3 . .
C23 C24 C25 119.5(4) . .
C25 C24 H24 120.3 . .
C24 C25 H25 119.7 . .
C24 C25 C26 120.6(5) . .
C26 C25 H25 119.7 . .
C21 C26 H26 119.6 . .
C25 C26 C21 120.7(4) . .
C25 C26 H26 119.6 . .
C28 C27 P2 118.5(3) . .
C32 C27 C28 118.0(4) . .
C32 C27 P2 123.4(4) . .
C27 C28 H28 119.4 . .
C29 C28 C27 121.1(5) . .
C29 C28 H28 119.4 . .
C28 C29 H29 119.9 . .
C30 C29 C28 120.1(5) . .
C30 C29 H29 119.9 . .
C29 C30 H30 120.3 . .
C31 C30 C29 119.3(5) . .
C31 C30 H30 120.3 . .
C30 C31 H31 119.4 . .
C30 C31 C32 121.2(6) . .
C32 C31 H31 119.4 . .
C27 C32 C31 120.2(5) . .
C27 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
H33A C33 H33B 108.1 . .
Cl1 C33 H33A 109.6 . .
Cl1 C33 H33B 109.6 . .
Cl1 C33 Cl2 110.4(3) . .
Cl2 C33 H33A 109.6 . .
Cl2 C33 H33B 109.6 . .
H34A C34 H34B 107.9 . .
Cl3 C34 H34A 109.3 2_655 .
Cl3 C34 H34A 109.3 . .
Cl3 C34 H34B 109.3 . .
Cl3 C34 H34B 109.3 2_655 .
Cl3 C34 Cl3 111.8(6) 2_655 .
Cu1 I1 Cu1 65.05(2) . 2_655
C5 O1 C8 117.6(3) . .
C4 O2 C7 116.4(4) . .
C1 P1 Cu1 101.02(13) . .
C9 P1 Cu1 114.47(14) . .
C9 P1 C1 104.19(18) . .
C15 P1 Cu1 127.49(14) . .
C15 P1 C1 103.29(19) . .
C15 P1 C9 103.54(19) . .
C2 P2 Cu1 101.03(14) . .
C21 P2 Cu1 114.47(14) . .
C21 P2 C2 104.13(18) . .
C21 P2 C27 103.80(19) . .
C27 P2 Cu1 127.03(14) . .
C27 P2 C2 103.62(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 Cu1 2.8317(10) 2_655
Cu1 I1 2.6578(6) 2_655
Cu1 I1 2.6086(6) .
Cu1 P1 2.2875(12) .
Cu1 P2 2.2805(12) .
C1 C2 1.403(6) .
C1 C6 1.397(6) .
C1 P1 1.824(4) .
C2 C3 1.403(5) .
C2 P2 1.825(4) .
C3 H3 0.9500 .
C3 C4 1.375(6) .
C4 C5 1.406(6) .
C4 O2 1.356(5) .
C5 C6 1.388(6) .
C5 O1 1.357(5) .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C7 O2 1.419(6) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C8 O1 1.421(6) .
C9 C10 1.376(6) .
C9 C14 1.375(6) .
C9 P1 1.823(4) .
C10 H10 0.9500 .
C10 C11 1.374(7) .
C11 H11 0.9500 .
C11 C12 1.369(8) .
C12 H12 0.9500 .
C12 C13 1.377(7) .
C13 H13 0.9500 .
C13 C14 1.374(7) .
C14 H14 0.9500 .
C15 C16 1.385(6) .
C15 C20 1.380(6) .
C15 P1 1.822(4) .
C16 H16 0.9500 .
C16 C17 1.386(7) .
C17 H17 0.9500 .
C17 C18 1.360(8) .
C18 H18 0.9500 .
C18 C19 1.371(8) .
C19 H19 0.9500 .
C19 C20 1.393(7) .
C20 H20 0.9500 .
C21 C22 1.385(6) .
C21 C26 1.381(6) .
C21 P2 1.822(4) .
C22 H22 0.9500 .
C22 C23 1.389(6) .
C23 H23 0.9500 .
C23 C24 1.371(7) .
C24 H24 0.9500 .
C24 C25 1.373(7) .
C25 H25 0.9500 .
C25 C26 1.380(6) .
C26 H26 0.9500 .
C27 C28 1.381(6) .
C27 C32 1.371(7) .
C27 P2 1.823(4) .
C28 H28 0.9500 .
C28 C29 1.380(7) .
C29 H29 0.9500 .
C29 C30 1.372(8) .
C30 H30 0.9500 .
C30 C31 1.343(8) .
C31 H31 0.9500 .
C31 C32 1.396(8) .
C32 H32 0.9500 .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C33 Cl1 1.715(6) .
C33 Cl2 1.721(7) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C34 Cl3 1.717(6) 2_655
C34 Cl3 1.717(6) .
I1 Cu1 2.6578(6) 2_655
