# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_6675
_database_code_depnum_ccdc_archive 'CCDC 1456957'
_audit_update_record             
;
2016-03-02 deposited with the CCDC.
2016-04-06 downloaded from the CCDC.
;
_audit_creation_date             2016-03-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2014-3
_chemical_name_common            CuI(ph-dppb)2
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C72 H56 Cu2 I2 P4, C H2 Cl2'
_chemical_formula_sum            'C73 H58 Cl2 Cu2 I2 P4'
_chemical_formula_weight         1510.85
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Cu I P C H'
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'
I I -0.4742 1.8119 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   24.271(2)
_cell_length_b                   14.1584(14)
_cell_length_c                   9.6410(9)
_cell_angle_alpha                90
_cell_angle_beta                 98.970(9)
_cell_angle_gamma                90
_cell_volume                     3272.5(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2119
_cell_measurement_temperature    180.01(10)
_cell_measurement_theta_max      22.6150
_cell_measurement_theta_min      3.7870
_shelx_estimated_absorpt_T_max   0.915
_shelx_estimated_absorpt_T_min   0.839
_exptl_absorpt_coefficient_mu    1.815
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85617
_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_density_diffrn    1.533
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.1053
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            6104
_diffrn_reflns_point_group_measured_fraction_full 0.779
_diffrn_reflns_point_group_measured_fraction_max 0.798
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.022
_diffrn_reflns_theta_min         2.927
_diffrn_ambient_temperature      180.01(10)
_diffrn_detector_area_resol_mean 5.1957
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -23.00   52.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       10.8579   77.0000 -180.0000 75

#__ type_ start__ end____ width___ exp.time_
  2 omega  -38.00   58.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.7954   77.0000   30.0000 96
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0018138000
_diffrn_orient_matrix_UB_12      -0.0204657000
_diffrn_orient_matrix_UB_13      0.0663435000
_diffrn_orient_matrix_UB_21      0.0031946000
_diffrn_orient_matrix_UB_22      0.0452839000
_diffrn_orient_matrix_UB_23      0.0315570000
_diffrn_orient_matrix_UB_31      -0.0293646000
_diffrn_orient_matrix_UB_32      0.0061227000
_diffrn_orient_matrix_UB_33      -0.0123874000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.541
_reflns_Friedel_fraction_full    0.572
_reflns_Friedel_fraction_max     0.587
_reflns_number_gt                3588
_reflns_number_total             4626
_reflns_odcompleteness_completeness 99.20
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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)
;
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.117
_refine_ls_abs_structure_details 
;
 Flack x determined using 1071 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.35(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         4626
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0558
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0379P)²+1.4548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1248
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: H37A(0.5) H37B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Cu1 Cu 0.55741(6) 0.84670(10) 0.47465(16) 0.0357(4) Uani 1 1 d . . . . .
C1 C 0.6882(5) 0.8341(9) 0.5846(12) 0.031(3) Uani 1 1 d . . . . .
C2 C 0.7389(5) 0.8583(13) 0.6700(12) 0.044(4) Uani 1 1 d . . . . .
H2 H 0.7514 0.9220 0.6747 0.053 Uiso 1 1 calc R . . . .
C3 C 0.7709(5) 0.7877(10) 0.7484(13) 0.035(3) Uani 1 1 d . . . . .
C4 C 0.7514(6) 0.6962(10) 0.7411(14) 0.037(3) Uani 1 1 d . . . . .
H4 H 0.7711 0.6490 0.7989 0.044 Uiso 1 1 calc R . . . .
C5 C 0.7038(5) 0.6724(10) 0.6510(14) 0.038(3) Uani 1 1 d . . . . .
H5 H 0.6930 0.6079 0.6434 0.045 Uiso 1 1 calc R . . . .
C6 C 0.6709(6) 0.7384(9) 0.5710(15) 0.033(3) Uani 1 1 d . . . . .
C7 C 0.8246(6) 0.8115(10) 0.8351(15) 0.041(4) Uani 1 1 d . . . . .
C8 C 0.8351(6) 0.9014(12) 0.8923(17) 0.060(5) Uani 1 1 d . . . . .
H8 H 0.8077 0.9495 0.8721 0.072 Uiso 1 1 calc R . . . .
C9 C 0.8846(7) 0.9212(13) 0.9777(19) 0.071(5) Uani 1 1 d . . . . .
H9 H 0.8906 0.9824 1.0174 0.085 Uiso 1 1 calc R . . . .
C10 C 0.9263(7) 0.8528(17) 1.0071(19) 0.080(6) Uani 1 1 d . . . . .
H10 H 0.9601 0.8660 1.0682 0.096 Uiso 1 1 calc R . . . .
C11 C 0.9171(7) 0.7679(14) 0.9462(19) 0.073(6) Uani 1 1 d . . . . .
H11 H 0.9455 0.7212 0.9617 0.087 Uiso 1 1 calc R . . . .
C12 C 0.8671(6) 0.7467(13) 0.8611(17) 0.059(5) Uani 1 1 d . . . . .
H12 H 0.8621 0.6858 0.8197 0.071 Uiso 1 1 calc R . . . .
C13 C 0.6583(6) 1.0326(10) 0.5762(16) 0.039(4) Uani 1 1 d . . . . .
C14 C 0.6703(6) 1.1127(10) 0.5110(15) 0.047(4) Uani 1 1 d . . . . .
H14 H 0.6756 1.1093 0.4156 0.056 Uiso 1 1 calc R . . . .
C15 C 0.6752(7) 1.2000(11) 0.5781(19) 0.057(4) Uani 1 1 d . . . . .
H15 H 0.6850 1.2544 0.5296 0.069 Uiso 1 1 calc R . . . .
C16 C 0.6658(7) 1.2074(11) 0.714(2) 0.058(4) Uani 1 1 d . . . . .
H16 H 0.6671 1.2671 0.7596 0.070 Uiso 1 1 calc R . . . .
C17 C 0.6543(6) 1.1256(11) 0.7842(16) 0.052(4) Uani 1 1 d . . . . .
H17 H 0.6490 1.1292 0.8796 0.063 Uiso 1 1 calc R . . . .
C18 C 0.6505(6) 1.0380(12) 0.7159(16) 0.054(4) Uani 1 1 d . . . . .
H18 H 0.6427 0.9825 0.7648 0.064 Uiso 1 1 calc R . . . .
C19 C 0.6699(6) 0.9336(10) 0.3187(15) 0.043(4) Uani 1 1 d . . . . .
C20 C 0.6325(6) 0.9372(12) 0.1979(15) 0.057(4) Uani 1 1 d . . . . .
H20 H 0.5935 0.9348 0.2003 0.068 Uiso 1 1 calc R . . . .
C21 C 0.6523(8) 0.9445(15) 0.0720(17) 0.082(6) Uani 1 1 d . . . . .
H21 H 0.6265 0.9500 -0.0125 0.098 Uiso 1 1 calc R . . . .
C22 C 0.7078(8) 0.9440(13) 0.0657(16) 0.067(5) Uani 1 1 d . . . . .
H22 H 0.7204 0.9476 -0.0226 0.081 Uiso 1 1 calc R . . . .
C23 C 0.7455(6) 0.9384(10) 0.1861(16) 0.047(4) Uani 1 1 d . . . . .
H23 H 0.7844 0.9376 0.1820 0.056 Uiso 1 1 calc R . . . .
C24 C 0.7270(6) 0.9340(10) 0.3133(15) 0.041(4) Uani 1 1 d . . . . .
H24 H 0.7530 0.9313 0.3977 0.050 Uiso 1 1 calc R . . . .
C25 C 0.5890(6) 0.5918(10) 0.5130(15) 0.040(4) Uani 1 1 d . . . . .
C26 C 0.5598(7) 0.5851(11) 0.6276(17) 0.053(4) Uani 1 1 d . . . . .
H26 H 0.5491 0.6406 0.6721 0.064 Uiso 1 1 calc R . . . .
C27 C 0.5468(8) 0.4966(14) 0.675(2) 0.073(5) Uani 1 1 d . . . . .
H27 H 0.5266 0.4907 0.7510 0.088 Uiso 1 1 calc R . . . .
C28 C 0.5638(9) 0.4159(13) 0.609(2) 0.083(6) Uani 1 1 d . . . . .
H28 H 0.5555 0.3553 0.6429 0.100 Uiso 1 1 calc R . . . .
C29 C 0.5921(9) 0.4225(13) 0.497(2) 0.084(6) Uani 1 1 d . . . . .
H29 H 0.6018 0.3667 0.4520 0.101 Uiso 1 1 calc R . . . .
C30 C 0.6067(6) 0.5100(10) 0.450(2) 0.059(5) Uani 1 1 d . . . . .
H30 H 0.6281 0.5147 0.3754 0.070 Uiso 1 1 calc R . . . .
C31 C 0.6241(5) 0.6933(9) 0.2855(14) 0.034(3) Uani 1 1 d . . . . .
C32 C 0.6776(7) 0.6842(12) 0.2548(17) 0.059(4) Uani 1 1 d . . . . .
H32 H 0.7082 0.6827 0.3294 0.071 Uiso 1 1 calc R . . . .
C33 C 0.6877(7) 0.6770(12) 0.1148(17) 0.057(4) Uani 1 1 d . . . . .
H33 H 0.7246 0.6704 0.0952 0.068 Uiso 1 1 calc R . . . .
C34 C 0.6441(8) 0.6797(13) 0.0094(17) 0.071(5) Uani 1 1 d . . . . .
H34 H 0.6510 0.6773 -0.0849 0.086 Uiso 1 1 calc R . . . .
C35 C 0.5903(8) 0.6859(12) 0.0341(16) 0.063(5) Uani 1 1 d . . . . .
H35 H 0.5600 0.6850 -0.0413 0.075 Uiso 1 1 calc R . . . .
C36 C 0.5811(7) 0.6935(10) 0.1721(14) 0.049(4) Uani 1 1 d . . . . .
H36 H 0.5438 0.6990 0.1898 0.059 Uiso 1 1 calc R . . . .
C37 C 0.5000 0.1131(17) 0.5000 0.094(10) Uani 1 2 d S T P . .
H37A H 0.5312 0.0718 0.5411 0.113 Uiso 0.5 1 calc R . . . .
H37B H 0.4688 0.0718 0.4589 0.113 Uiso 0.5 1 calc R . . . .
Cl1 Cl 0.5211(2) 0.1795(4) 0.3667(7) 0.106(2) Uani 1 1 d . . . . .
I1 I 0.52670(3) 0.87596(6) 0.72375(8) 0.0400(3) Uani 1 1 d . . . . .
P1 P 0.64169(14) 0.9215(2) 0.4853(3) 0.0337(8) Uani 1 1 d . . . . .
P2 P 0.60574(15) 0.7098(2) 0.4587(4) 0.0362(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cu1 2.904(3) 2_656 ?
Cu1 I1 2.6039(17) 2_656 ?
Cu1 I1 2.6558(18) . ?
Cu1 P1 2.291(4) . ?
Cu1 P2 2.283(4) . ?
C1 C2 1.412(17) . ?
C1 C6 1.418(17) . ?
C1 P1 1.840(13) . ?
C2 H2 0.9500 . ?
C2 C3 1.412(19) . ?
C3 C4 1.377(19) . ?
C3 C7 1.47(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.383(18) . ?
C6 P2 1.818(15) . ?
C7 C8 1.40(2) . ?
C7 C12 1.37(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.38(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.40(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.34(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.39(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.35(2) . ?
C13 C18 1.39(2) . ?
C13 P1 1.815(16) . ?
C14 H14 0.9500 . ?
C14 C15 1.39(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.37(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.39(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.40(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.361(19) . ?
C19 C24 1.395(19) . ?
C19 P1 1.849(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.38(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.36(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.36(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.372(19) . ?
C24 H24 0.9500 . ?
C25 C26 1.41(2) . ?
C25 C30 1.41(2) . ?
C25 P2 1.815(15) . ?
C26 H26 0.9500 . ?
C26 C27 1.39(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.40(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.37(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.39(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(19) . ?
C31 C36 1.389(18) . ?
C31 P2 1.809(13) . ?
C32 H32 0.9500 . ?
C32 C33 1.41(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.35(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.37(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.39(2) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 Cl1 1.733(14) 2_656 ?
C37 Cl1 1.733(14) . ?
I1 Cu1 2.6039(17) 2_656 ?

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
I1 Cu1 Cu1 55.64(5) . 2_656 ?
I1 Cu1 Cu1 57.35(5) 2_656 2_656 ?
I1 Cu1 I1 109.94(6) 2_656 . ?
P1 Cu1 Cu1 150.00(10) . 2_656 ?
P1 Cu1 I1 105.19(11) . . ?
P1 Cu1 I1 123.47(11) . 2_656 ?
P2 Cu1 Cu1 121.88(10) . 2_656 ?
P2 Cu1 I1 114.40(11) . . ?
P2 Cu1 I1 115.96(11) . 2_656 ?
P2 Cu1 P1 86.03(14) . . ?
C2 C1 C6 120.3(13) . . ?
C2 C1 P1 123.3(11) . . ?
C6 C1 P1 116.5(9) . . ?
C1 C2 H2 120.1 . . ?
C1 C2 C3 119.9(14) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C7 120.4(13) . . ?
C4 C3 C2 118.8(12) . . ?
C4 C3 C7 120.8(13) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(12) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 118.6 . . ?
C4 C5 C6 122.8(13) . . ?
C6 C5 H5 118.6 . . ?
C1 C6 P2 119.0(10) . . ?
C5 C6 C1 117.2(12) . . ?
C5 C6 P2 123.7(10) . . ?
C8 C7 C3 121.6(14) . . ?
C12 C7 C3 121.6(13) . . ?
C12 C7 C8 116.8(15) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.7(16) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.3(16) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 121.1 . . ?
C11 C10 C9 117.7(16) . . ?
C11 C10 H10 121.1 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.6(17) . . ?
C12 C11 H11 119.2 . . ?
C7 C12 C11 121.8(16) . . ?
C7 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C14 C13 C18 118.4(14) . . ?
C14 C13 P1 123.4(12) . . ?
C18 C13 P1 117.6(11) . . ?
C13 C14 H14 118.7 . . ?
C13 C14 C15 122.6(14) . . ?
C15 C14 H14 118.7 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.9(15) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 120.8 . . ?
C15 C16 C17 118.5(15) . . ?
C17 C16 H16 120.8 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.9(15) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 C17 119.7(15) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C24 120.1(13) . . ?
C20 C19 P1 117.4(11) . . ?
C24 C19 P1 122.5(11) . . ?
C19 C20 H20 120.7 . . ?
C19 C20 C21 118.7(14) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 119.2 . . ?
C22 C21 C20 121.6(16) . . ?
C22 C21 H21 119.2 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.1(14) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.6(15) . . ?
C24 C23 H23 120.2 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 120.0(14) . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C30 120.7(14) . . ?
C26 C25 P2 116.8(10) . . ?
C30 C25 P2 122.4(12) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.1(16) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.5(18) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.3 . . ?
C29 C28 C27 121.3(17) . . ?
C29 C28 H28 119.3 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.5(18) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 H30 120.6 . . ?
C29 C30 C25 118.7(17) . . ?
C29 C30 H30 120.6 . . ?
C32 C31 C36 116.6(13) . . ?
C32 C31 P2 125.8(11) . . ?
C36 C31 P2 117.6(10) . . ?
C31 C32 H32 119.3 . . ?
C31 C32 C33 121.4(15) . . ?
C33 C32 H32 119.3 . . ?
C32 C33 H33 120.5 . . ?
C34 C33 C32 119.0(15) . . ?
C34 C33 H33 120.5 . . ?
C33 C34 H34 119.0 . . ?
C33 C34 C35 122.0(15) . . ?
C35 C34 H34 119.0 . . ?
C34 C35 H35 120.9 . . ?
C34 C35 C36 118.3(15) . . ?
C36 C35 H35 120.9 . . ?
C31 C36 H36 118.6 . . ?
C35 C36 C31 122.8(15) . . ?
C35 C36 H36 118.6 . . ?
H37A C37 H37B 107.6 . . ?
Cl1 C37 H37A 108.7 2_656 . ?
Cl1 C37 H37A 108.7 . . ?
Cl1 C37 H37B 108.7 . . ?
Cl1 C37 H37B 108.7 2_656 . ?
Cl1 C37 Cl1 114.3(14) . 2_656 ?
Cu1 I1 Cu1 67.01(6) 2_656 . ?
C1 P1 Cu1 100.6(4) . . ?
C1 P1 C19 103.6(6) . . ?
C13 P1 Cu1 123.4(5) . . ?
C13 P1 C1 105.1(6) . . ?
C13 P1 C19 104.8(7) . . ?
C19 P1 Cu1 116.9(5) . . ?
C6 P2 Cu1 100.3(4) . . ?
C25 P2 Cu1 128.4(5) . . ?
C25 P2 C6 104.2(7) . . ?
C31 P2 Cu1 112.0(4) . . ?
C31 P2 C6 105.2(6) . . ?
C31 P2 C25 104.2(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_colour            yellow
_exptl_crystal_description       parallelepiped
_solvent_exptl_crystal_recrystallization_method dichloromethane,pentane
_chemical_compound_source        none
