#------------------------------------------------------------------------------
#$Date: 2024-05-05 05:10:00 +0300 (Sun, 05 May 2024) $
#$Revision: 291589 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/83/7248357.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_7248357
loop_
_publ_author_name
'Mou, Wen-Long'
'Gao, Cheng-Jie'
'Li, Zi-Xi'
'Fan, Si-Jie'
'Hou, Chuan-Bin'
'Zhao, Jing-Tong'
'Zhang, Shuai'
'Li, Zhong-Feng'
'Han, Hong-Liang'
'Duan, Chun-Bo'
'Wang, Guo'
'Jin, Qiong-Hua'
_publ_section_title
;
 Synthesis and luminescent properties of three excellent yellow emissive
 Cu(i) complexes based on the diphosphine ligand and the diimine ligand
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              2297
_journal_page_last               2305
_journal_paper_doi               10.1039/D4CE00206G
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C82 H64 Cu2 I2 N2 O2 P4, 4(C H2 Cl2)'
_chemical_formula_sum            'C86 H72 Cl8 Cu2 I2 N2 O2 P4'
_chemical_formula_weight         1953.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-10-28
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-11-09 deposited with the CCDC.	2024-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                102.042(7)
_cell_angle_beta                 104.779(6)
_cell_angle_gamma                105.238(9)
_cell_formula_units_Z            1
_cell_length_a                   9.7815(8)
_cell_length_b                   13.1368(15)
_cell_length_c                   18.8649(2)
_cell_measurement_reflns_used    8285
_cell_measurement_temperature    293
_cell_measurement_theta_max      74.0640
_cell_measurement_theta_min      4.9310
_cell_volume                     2160.5(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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      293
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  89.00   0.50    1.00    --    0.00  37.00 150.00  208
  2  ω    -89.00 -45.00   0.50    1.00    --    0.00 -77.00-180.00   88
  3  ω    -37.00  -8.00   0.50    1.00    --    0.00 -77.00-180.00   58
  4  ω    -29.00  10.00   0.50    1.00    --    0.00 -37.00 -90.00   78
  5  ω    -41.00  13.00   0.50    1.00    --    0.00 -37.00-150.00  108
  6  ω    -79.00 -53.00   0.50    1.00    --    0.00 -37.00 -90.00   52
  7  ω    -88.00 -44.00   0.50    1.00    --    0.00 -37.00-150.00   88
  8  ω     74.00 107.00   0.50    1.00    --   94.00 -15.00 150.00   66
  9  ω      8.00  35.00   0.50    1.00    --   94.00 -82.00 -90.00   54
 10  ω     19.00  58.00   0.50    1.00    --   94.00 -15.00 150.00   78
 11  ω     61.00 124.00   0.50    1.00    --   94.00 -82.00 -90.00  126
 12  ω     86.00 183.00   0.50    1.00    --   94.00  15.00 -30.00  194
 13  ω     99.00 124.00   0.50    1.00    --   94.00 -82.00  60.00   50
 14  ω      5.00 105.00   0.50    1.00    --   94.00 -15.00 -30.00  200
 15  ω     53.00 123.00   0.50    1.00    --   94.00 -82.00   0.00  140
 16  ω     65.00 110.00   0.50    1.00    --   94.00  82.00  30.00   90
 17  ω      5.00  32.00   0.50    1.00    --   94.00 -82.00   0.00   54
 18  ω     21.00  72.00   0.50    1.00    --   94.00 -30.00 -90.00  102
 19  ω     67.00 105.00   0.50    1.00    --   94.00 -82.00-150.00   76
 20  ω     48.00  77.00   0.50    1.00    --   94.00 -77.00  60.00   58
 21  ω     83.00 122.00   0.50    1.00    --   94.00  23.00-102.00   78
 22  ω    127.00 183.00   0.50    1.00    --   94.00  23.00-102.00  112
 23  ω     24.00  50.00   0.50    1.00    --   94.00 -61.00 150.00   52
 24  ω     87.00 116.00   0.50    1.00    --   94.00 -61.00 150.00   58
 25  ω     98.00 124.00   0.50    1.00    --   94.00 -82.00  30.00   52
 26  ω      6.00  44.00   0.50    1.00    --   94.00 -77.00  60.00   76
 27  ω     22.00 124.00   0.50    1.00    --   94.00 -82.00 120.00  204
 28  ω     28.00 116.00   0.50    1.00    --   94.00 -61.00 -90.00  176
 29  ω     21.00 116.00   0.50    1.00    --   94.00 -61.00 120.00  190
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0356755000
_diffrn_orient_matrix_UB_12      0.1068740000
_diffrn_orient_matrix_UB_13      -0.0235887000
_diffrn_orient_matrix_UB_21      0.1554049000
_diffrn_orient_matrix_UB_22      -0.0067182000
_diffrn_orient_matrix_UB_23      0.0011583000
_diffrn_orient_matrix_UB_31      -0.0666705000
_diffrn_orient_matrix_UB_32      -0.0686964000
_diffrn_orient_matrix_UB_33      -0.0851917000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.927
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25842
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.938
_diffrn_reflns_theta_min         3.780
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.559
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_description       block
_exptl_crystal_F_000             978
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.103
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8560
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0434
_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)+(0.0816P)²+0.9613P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1265
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8059
_reflns_number_total             8560
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00206g12.cif
_cod_data_source_block           lzx-146
_cod_depositor_comments
'Adding full bibliography for 7248357--7248359.cif.'
_cod_original_cell_volume        2160.5(3)
_cod_database_code               7248357
_shelxl_version_number           2013-2
_chemical_oxdiff_formula         'C H N O Cu Cl P I'
_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   0.199
_shelx_estimated_absorpt_t_min   0.130
_reflns_odcompleteness_completeness 99.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C38(H38A,H38B)
2.b Aromatic/amide H refined with riding coordinates:
 C00G(H00G), C00I(H00I), C00L(H00L), C00M(H00M), C32(H32), C23(H23), C36(H36),
 C26(H26), C14(H14), C12(H12), C2(H2), C30(H30), C27(H27), C28(H28), C11(H11),
 C17(H17), C4(H4), C3(H3), C35(H35), C6(H6), C10(H10), C20(H20), C29(H29),
 C33(H33), C8(H8), C15(H15), C5(H5), C34(H34), C16(H16), C21(H21), C22(H22),
 C9(H9)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.504
_oxdiff_exptl_absorpt_empirical_full_min 0.750
loop_
_space_group_symop_operation_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_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
I1 I 0.72535(2) 0.04801(2) 0.67917(2) 0.05228(10) Uani 1 1 d . . . . .
Cu1 Cu 0.58846(4) 0.18748(3) 0.71410(2) 0.03531(12) Uani 1 1 d . . . . .
P2 P 0.58569(8) 0.22224(6) 0.83636(4) 0.03245(15) Uani 1 1 d . . . . .
P1 P 0.69627(8) 0.34605(6) 0.68616(4) 0.03685(16) Uani 1 1 d . . . . .
Cl2 Cl 0.2457(2) 0.28202(18) 0.47992(11) 0.1197(6) Uani 1 1 d . . . . .
Cl1 Cl 0.0470(3) 0.27353(15) 0.33562(11) 0.1190(6) Uani 1 1 d . . . . .
O1 O 0.4782(2) 0.38047(17) 0.76987(12) 0.0401(4) Uani 1 1 d . . . . .
N1 N 0.3671(3) 0.1169(2) 0.63719(14) 0.0381(5) Uani 1 1 d . . . . .
C25 C 0.6864(3) 0.1720(2) 0.91081(17) 0.0363(6) Uani 1 1 d . . . . .
C00C C 0.0764(3) 0.0237(2) 0.52884(16) 0.0363(6) Uani 1 1 d . . . . .
C31 C 0.3944(3) 0.1694(2) 0.83779(16) 0.0364(6) Uani 1 1 d . . . . .
C19 C 0.5898(4) 0.4354(3) 0.83986(17) 0.0408(6) Uani 1 1 d . . . . .
C18 C 0.4764(4) 0.4342(3) 0.71212(17) 0.0421(6) Uani 1 1 d . . . . .
C00G C 0.2523(4) 0.1480(3) 0.64734(18) 0.0450(7) Uani 1 1 d . . . . .
H00G H 0.2705 0.2028 0.6921 0.054 Uiso 1 1 calc R . . . .
C24 C 0.6472(3) 0.3700(3) 0.88142(17) 0.0384(6) Uani 1 1 d . . . . .
C00I C 0.3363(3) 0.0395(3) 0.57301(19) 0.0459(7) Uani 1 1 d . . . . .
H00I H 0.4135 0.0157 0.5639 0.055 Uiso 1 1 calc R . . . .
C7 C 0.7377(4) 0.3247(3) 0.59644(18) 0.0445(7) Uani 1 1 d . . . . .
C13 C 0.5776(4) 0.4325(3) 0.67282(17) 0.0406(6) Uani 1 1 d . . . . .
C00L C 0.1947(4) -0.0086(3) 0.51827(18) 0.0449(7) Uani 1 1 d . . . . .
H00L H 0.1794 -0.0632 0.4740 0.054 Uiso 1 1 calc R . . . .
C00M C 0.1084(4) 0.1041(3) 0.59557(19) 0.0461(7) Uani 1 1 d . . . . .
H00M H 0.0332 0.1292 0.6061 0.055 Uiso 1 1 calc R . . . .
C1 C 0.8765(4) 0.4373(3) 0.75428(18) 0.0437(7) Uani 1 1 d . . . . .
C32 C 0.3216(4) 0.2329(3) 0.8687(2) 0.0521(8) Uani 1 1 d . . . . .
H32 H 0.3714 0.3080 0.8930 0.062 Uiso 1 1 calc R . . . .
C23 C 0.7593(4) 0.4230(3) 0.95162(19) 0.0532(8) Uani 1 1 d . . . . .
H23 H 0.7991 0.3819 0.9805 0.064 Uiso 1 1 calc R . . . .
C36 C 0.3180(4) 0.0574(3) 0.8032(2) 0.0519(8) Uani 1 1 d . . . . .
H36 H 0.3655 0.0130 0.7815 0.062 Uiso 1 1 calc R . . . .
C26 C 0.6295(4) 0.1440(3) 0.9680(2) 0.0505(8) Uani 1 1 d . . . . .
H26 H 0.5384 0.1516 0.9697 0.061 Uiso 1 1 calc R . . . .
C14 C 0.5730(5) 0.4907(3) 0.6168(2) 0.0534(8) Uani 1 1 d . . . . .
H14 H 0.6409 0.4926 0.5900 0.064 Uiso 1 1 calc R . . . .
C12 C 0.6255(5) 0.2514(3) 0.5322(2) 0.0534(8) Uani 1 1 d . . . . .
H12 H 0.5326 0.2163 0.5357 0.064 Uiso 1 1 calc R . . . .
C2 C 0.9859(4) 0.3905(3) 0.7791(2) 0.0559(9) Uani 1 1 d . . . . .
H2 H 0.9621 0.3142 0.7635 0.067 Uiso 1 1 calc R . . . .
C30 C 0.8233(4) 0.1618(3) 0.9101(2) 0.0485(7) Uani 1 1 d . . . . .
H30 H 0.8623 0.1799 0.8726 0.058 Uiso 1 1 calc R . . . .
C27 C 0.7098(5) 0.1045(4) 1.0226(2) 0.0613(10) Uani 1 1 d . . . . .
H27 H 0.6705 0.0846 1.0597 0.074 Uiso 1 1 calc R . . . .
C28 C 0.8456(5) 0.0950(3) 1.0218(2) 0.0603(9) Uani 1 1 d . . . . .
H28 H 0.8987 0.0692 1.0583 0.072 Uiso 1 1 calc R . . . .
C11 C 0.6492(6) 0.2295(3) 0.4631(2) 0.0644(10) Uani 1 1 d . . . . .
H11 H 0.5716 0.1803 0.4199 0.077 Uiso 1 1 calc R . . . .
C17 C 0.3709(5) 0.4861(3) 0.6967(2) 0.0576(9) Uani 1 1 d . . . . .
H17 H 0.3031 0.4852 0.7235 0.069 Uiso 1 1 calc R . . . .
C4 C 1.1624(5) 0.5680(4) 0.8500(3) 0.0762(14) Uani 1 1 d . . . . .
H4 H 1.2590 0.6129 0.8811 0.091 Uiso 1 1 calc R . . . .
C3 C 1.1288(5) 0.4563(4) 0.8265(2) 0.0673(11) Uani 1 1 d . . . . .
H3 H 1.2014 0.4247 0.8423 0.081 Uiso 1 1 calc R . . . .
C35 C 0.1716(4) 0.0111(4) 0.8006(2) 0.0625(10) Uani 1 1 d . . . . .
H35 H 0.1226 -0.0646 0.7787 0.075 Uiso 1 1 calc R . . . .
C6 C 0.9112(5) 0.5504(3) 0.7798(2) 0.0610(10) Uani 1 1 d . . . . .
H6 H 0.8393 0.5829 0.7649 0.073 Uiso 1 1 calc R . . . .
C10 C 0.7858(7) 0.2790(4) 0.4564(3) 0.0742(13) Uani 1 1 d . . . . .
H10 H 0.8005 0.2635 0.4091 0.089 Uiso 1 1 calc R . . . .
C20 C 0.6378(5) 0.5482(3) 0.8678(2) 0.0593(10) Uani 1 1 d . . . . .
H20 H 0.5962 0.5898 0.8401 0.071 Uiso 1 1 calc R . . . .
C29 C 0.9032(4) 0.1243(4) 0.9658(2) 0.0606(9) Uani 1 1 d . . . . .
H29 H 0.9959 0.1189 0.9654 0.073 Uiso 1 1 calc R . . . .
C33 C 0.1726(5) 0.1856(4) 0.8642(3) 0.0690(11) Uani 1 1 d . . . . .
H33 H 0.1237 0.2298 0.8849 0.083 Uiso 1 1 calc R . . . .
C8 C 0.8764(5) 0.3757(4) 0.5890(2) 0.0657(11) Uani 1 1 d . . . . .
H8 H 0.9536 0.4267 0.6316 0.079 Uiso 1 1 calc R . . . .
C15 C 0.4692(6) 0.5445(4) 0.6016(2) 0.0644(11) Uani 1 1 d . . . . .
H15 H 0.4688 0.5832 0.5655 0.077 Uiso 1 1 calc R . . . .
C5 C 1.0553(6) 0.6146(4) 0.8280(3) 0.0800(14) Uani 1 1 d . . . . .
H5 H 1.0794 0.6908 0.8456 0.096 Uiso 1 1 calc R . . . .
C34 C 0.0986(4) 0.0762(4) 0.8301(3) 0.0619(10) Uani 1 1 d . . . . .
H34 H -0.0009 0.0455 0.8267 0.074 Uiso 1 1 calc R . . . .
C16 C 0.3680(6) 0.5402(4) 0.6398(3) 0.0683(11) Uani 1 1 d . . . . .
H16 H 0.2958 0.5736 0.6280 0.082 Uiso 1 1 calc R . . . .
C21 C 0.7488(7) 0.5983(3) 0.9377(2) 0.0765(14) Uani 1 1 d . . . . .
H21 H 0.7823 0.6747 0.9580 0.092 Uiso 1 1 calc R . . . .
C22 C 0.8114(6) 0.5357(3) 0.9784(2) 0.0720(13) Uani 1 1 d . . . . .
H22 H 0.8900 0.5710 1.0245 0.086 Uiso 1 1 calc R . . . .
C9 C 0.8993(6) 0.3509(5) 0.5197(3) 0.0803(14) Uani 1 1 d . . . . .
H9 H 0.9928 0.3834 0.5158 0.096 Uiso 1 1 calc R . . . .
C37 C 0.1259(11) 0.1988(6) 0.3923(5) 0.136(3) Uani 1 1 d . . . . .
H37A H 0.0461 0.1435 0.3989 0.164 Uiso 1 1 calc R . . . .
H37B H 0.1794 0.1606 0.3658 0.164 Uiso 1 1 calc R . . . .
Cl4 Cl 0.7592(3) 0.8147(2) 0.8242(3) 0.1996(16) Uani 1 1 d . . . . .
Cl3 Cl 0.4453(5) 0.7916(2) 0.8081(3) 0.248(2) Uani 1 1 d . . . . .
C38 C 0.6087(12) 0.8594(10) 0.8059(9) 0.201(6) Uani 1 1 d . . . . .
H38A H 0.6399 0.9324 0.8419 0.241 Uiso 1 1 calc R . . . .
H38B H 0.5923 0.8693 0.7553 0.241 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
P2 Cu1 I1 114.09(3) . . ?
P2 Cu1 P1 112.30(3) . . ?
P1 Cu1 I1 107.80(3) . . ?
N1 Cu1 I1 105.93(7) . . ?
N1 Cu1 P2 109.73(7) . . ?
N1 Cu1 P1 106.53(8) . . ?
C25 P2 Cu1 125.12(10) . . ?
C31 P2 Cu1 110.50(10) . . ?
C31 P2 C25 100.62(13) . . ?
C24 P2 Cu1 110.07(10) . . ?
C24 P2 C25 103.40(14) . . ?
C24 P2 C31 105.25(14) . . ?
C7 P1 Cu1 115.47(11) . . ?
C7 P1 C13 101.35(15) . . ?
C13 P1 Cu1 114.30(11) . . ?
C1 P1 Cu1 116.21(11) . . ?
C1 P1 C7 101.67(16) . . ?
C1 P1 C13 106.01(16) . . ?
C19 O1 C18 116.4(2) . . ?
C00G N1 Cu1 124.3(2) . . ?
C00I N1 Cu1 119.9(2) . . ?
C00I N1 C00G 115.8(3) . . ?
C26 C25 P2 122.5(2) . . ?
C30 C25 P2 118.5(2) . . ?
C30 C25 C26 119.0(3) . . ?
C00L C00C C00C 122.6(3) . 2_556 ?
C00M C00C C00C 121.4(3) . 2_556 ?
C00M C00C C00L 115.9(3) . . ?
C32 C31 P2 124.5(2) . . ?
C32 C31 C36 118.4(3) . . ?
C36 C31 P2 117.0(3) . . ?
O1 C19 C24 116.9(3) . . ?
C20 C19 O1 120.9(3) . . ?
C20 C19 C24 122.2(3) . . ?
C13 C18 O1 119.6(3) . . ?
C13 C18 C17 122.3(3) . . ?
C17 C18 O1 118.0(3) . . ?
N1 C00G C00M 124.1(3) . . ?
C19 C24 P2 118.6(2) . . ?
C23 C24 P2 122.9(3) . . ?
C23 C24 C19 118.1(3) . . ?
N1 C00I C00L 123.5(3) . . ?
C12 C7 P1 117.1(3) . . ?
C12 C7 C8 118.1(3) . . ?
C8 C7 P1 124.7(3) . . ?
C18 C13 P1 120.1(2) . . ?
C18 C13 C14 117.0(3) . . ?
C14 C13 P1 122.5(3) . . ?
C00C C00L C00I 120.7(3) . . ?
C00C C00M C00G 120.0(3) . . ?
C2 C1 P1 117.9(3) . . ?
C6 C1 P1 122.8(3) . . ?
C6 C1 C2 119.2(3) . . ?
C31 C32 C33 120.4(4) . . ?
C22 C23 C24 119.9(4) . . ?
C35 C36 C31 120.7(4) . . ?
C27 C26 C25 120.2(3) . . ?
C15 C14 C13 121.2(4) . . ?
C11 C12 C7 120.4(4) . . ?
C3 C2 C1 120.8(4) . . ?
C25 C30 C29 120.2(3) . . ?
C28 C27 C26 120.6(3) . . ?
C27 C28 C29 119.3(3) . . ?
C12 C11 C10 121.1(4) . . ?
C18 C17 C16 118.7(4) . . ?
C3 C4 C5 120.5(4) . . ?
C4 C3 C2 119.3(4) . . ?
C34 C35 C36 120.2(4) . . ?
C1 C6 C5 118.9(4) . . ?
C9 C10 C11 119.4(4) . . ?
C19 C20 C21 118.3(4) . . ?
C28 C29 C30 120.8(4) . . ?
C34 C33 C32 120.8(4) . . ?
C9 C8 C7 120.6(4) . . ?
C16 C15 C14 119.5(3) . . ?
C4 C5 C6 121.2(5) . . ?
C33 C34 C35 119.4(3) . . ?
C15 C16 C17 121.1(4) . . ?
C20 C21 C22 120.5(4) . . ?
C23 C22 C21 120.9(4) . . ?
C10 C9 C8 120.2(5) . . ?
Cl2 C37 Cl1 112.1(4) . . ?
Cl3 C38 Cl4 123.2(6) . . ?
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
I1 Cu1 2.6116(5) . ?
Cu1 P2 2.2645(8) . ?
Cu1 P1 2.3056(9) . ?
Cu1 N1 2.105(2) . ?
P2 C25 1.844(3) . ?
P2 C31 1.826(3) . ?
P2 C24 1.814(3) . ?
P1 C7 1.822(3) . ?
P1 C13 1.834(3) . ?
P1 C1 1.813(3) . ?
Cl2 C37 1.699(8) . ?
Cl1 C37 1.766(8) . ?
O1 C19 1.382(4) . ?
O1 C18 1.415(4) . ?
N1 C00G 1.336(4) . ?
N1 C00I 1.315(4) . ?
C25 C26 1.405(4) . ?
C25 C30 1.384(4) . ?
C00C C00C 1.485(5) 2_556 ?
C00C C00L 1.378(4) . ?
C00C C00M 1.367(4) . ?
C31 C32 1.365(5) . ?
C31 C36 1.386(5) . ?
C19 C24 1.406(4) . ?
C19 C20 1.370(5) . ?
C18 C13 1.381(5) . ?
C18 C17 1.384(5) . ?
C00G C00M 1.380(4) . ?
C24 C23 1.383(5) . ?
C00I C00L 1.386(4) . ?
C7 C12 1.371(5) . ?
C7 C8 1.402(5) . ?
C13 C14 1.426(4) . ?
C1 C2 1.397(5) . ?
C1 C6 1.381(5) . ?
C32 C33 1.399(5) . ?
C23 C22 1.367(5) . ?
C36 C35 1.385(5) . ?
C26 C27 1.405(5) . ?
C14 C15 1.387(6) . ?
C12 C11 1.367(5) . ?
C2 C3 1.380(6) . ?
C30 C29 1.397(5) . ?
C27 C28 1.369(6) . ?
C28 C29 1.395(6) . ?
C11 C10 1.374(7) . ?
C17 C16 1.404(5) . ?
C4 C3 1.364(7) . ?
C4 C5 1.365(8) . ?
C35 C34 1.369(7) . ?
C6 C5 1.388(6) . ?
C10 C9 1.360(8) . ?
C20 C21 1.372(6) . ?
C33 C34 1.354(7) . ?
C8 C9 1.371(6) . ?
C15 C16 1.362(7) . ?
C21 C22 1.389(7) . ?
Cl4 C38 1.707(11) . ?
Cl3 C38 1.628(10) . ?
