# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_CHB148
_database_code_depnum_ccdc_archive 'CCDC 1998316'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse 
France
;
_audit_update_record             
;
2020-04-21 deposited with the CCDC.	2020-09-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H32 Cu I3 P2'
_chemical_formula_sum            'C44 H32 Cu I3 P2'
_chemical_formula_weight         1066.89

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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.971(2)
_cell_length_b                   18.180(3)
_cell_length_c                   20.965(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.961(7)
_cell_angle_gamma                90
_cell_volume                     4075.0(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    4599
_cell_measurement_theta_min      3.25
_cell_measurement_theta_max      23.29

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_F_000             2056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_shelx_estimated_absorpt_T_min   0.800
_shelx_estimated_absorpt_T_max   0.944
_exptl_absorpt_correction_T_min  0.6710
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_coefficient_mu    2.917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            34032
_diffrn_reflns_av_unetI/netI     0.0819
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         4.097
_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             8600
_reflns_number_gt                5631
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       APEX2
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0293P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8600
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.0819
_refine_ls_wR_factor_gt          0.0705
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_restrained_S_all      0.948
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C -0.0096(5) 0.1093(3) 0.7003(2) 0.0235(12) Uani 1 1 d . . . . .
C2 C -0.0891(5) 0.0489(3) 0.7092(2) 0.0219(12) Uani 1 1 d . . . . .
C3 C -0.0817(5) 0.0045(3) 0.7660(2) 0.0246(12) Uani 1 1 d . . . . .
C4 C -0.1634(6) -0.0518(3) 0.7691(3) 0.0377(16) Uani 1 1 d . . . . .
H4 H -0.1544 -0.0800 0.8080 0.045 Uiso 1 1 calc R U . . .
C5 C -0.2593(6) -0.0676(4) 0.7151(3) 0.054(2) Uani 1 1 d . . . . .
H5 H -0.3181 -0.1051 0.7179 0.064 Uiso 1 1 calc R U . . .
C6 C -0.2692(6) -0.0298(3) 0.6590(3) 0.0438(17) Uani 1 1 d . . . . .
H6 H -0.3339 -0.0417 0.6221 0.053 Uiso 1 1 calc R U . . .
C7 C -0.1854(5) 0.0270(3) 0.6543(3) 0.0330(14) Uani 1 1 d . . . . .
C8 C -0.1951(6) 0.0590(4) 0.5926(3) 0.0490(18) Uani 1 1 d . . . . .
H8 H -0.2610 0.0446 0.5571 0.059 Uiso 1 1 calc R U . . .
C9 C -0.1108(7) 0.1104(4) 0.5832(3) 0.057(2) Uani 1 1 d . . . . .
H9 H -0.1123 0.1287 0.5406 0.068 Uiso 1 1 calc R U . . .
C10 C -0.0210(6) 0.1362(3) 0.6379(3) 0.0387(16) Uani 1 1 d . . . . .
H10 H 0.0345 0.1741 0.6312 0.046 Uiso 1 1 calc R U . . .
C11 C 0.1045(5) 0.2514(3) 0.7249(2) 0.0200(11) Uani 1 1 d . . . . .
C12 C 0.2063(5) 0.2773(3) 0.7029(3) 0.0310(14) Uani 1 1 d . . . . .
H12 H 0.2765 0.2462 0.7047 0.037 Uiso 1 1 calc R U . . .
C13 C 0.2074(6) 0.3478(3) 0.6785(3) 0.0392(16) Uani 1 1 d . . . . .
H13 H 0.2788 0.3645 0.6641 0.047 Uiso 1 1 calc R U . . .
C14 C 0.1073(7) 0.3940(3) 0.6746(3) 0.0431(17) Uani 1 1 d . . . . .
H14 H 0.1089 0.4424 0.6578 0.052 Uiso 1 1 calc R U . . .
C15 C 0.0029(6) 0.3686(3) 0.6957(3) 0.0409(16) Uani 1 1 d . . . . .
H15 H -0.0677 0.3997 0.6929 0.049 Uiso 1 1 calc R U . . .
C16 C 0.0021(5) 0.2986(3) 0.7206(3) 0.0325(14) Uani 1 1 d . . . . .
H16 H -0.0692 0.2821 0.7351 0.039 Uiso 1 1 calc R U . . .
C17 C 0.2532(5) 0.1236(3) 0.7618(2) 0.0236(12) Uani 1 1 d . . . . .
C18 C 0.3552(5) 0.1467(3) 0.8087(3) 0.0331(14) Uani 1 1 d . . . . .
H18 H 0.3422 0.1789 0.8423 0.040 Uiso 1 1 calc R U . . .
C19 C 0.4761(5) 0.1248(4) 0.8085(3) 0.0425(16) Uani 1 1 d . . . . .
H19 H 0.5447 0.1419 0.8413 0.051 Uiso 1 1 calc R U . . .
C20 C 0.4956(6) 0.0776(3) 0.7601(3) 0.0434(17) Uani 1 1 d . . . . .
H20 H 0.5781 0.0626 0.7590 0.052 Uiso 1 1 calc R U . . .
C21 C 0.3960(6) 0.0524(3) 0.7135(3) 0.0475(18) Uani 1 1 d . . . . .
H21 H 0.4093 0.0191 0.6809 0.057 Uiso 1 1 calc R U . . .
C22 C 0.2755(5) 0.0754(3) 0.7140(3) 0.0349(15) Uani 1 1 d . . . . .
H22 H 0.2072 0.0581 0.6812 0.042 Uiso 1 1 calc R U . . .
C23 C 0.3327(5) 0.2299(3) 0.9736(2) 0.0189(11) Uani 1 1 d . . . . .
C24 C 0.3585(5) 0.2846(3) 0.9288(2) 0.0223(12) Uani 1 1 d . . . . .
C25 C 0.2706(5) 0.3329(3) 0.8884(2) 0.0272(13) Uani 1 1 d . . . . .
C26 C 0.3026(6) 0.3764(3) 0.8414(3) 0.0407(16) Uani 1 1 d . . . . .
H26 H 0.2409 0.4066 0.8146 0.049 Uiso 1 1 calc R U . . .
C27 C 0.4239(7) 0.3769(4) 0.8325(3) 0.0524(19) Uani 1 1 d . . . . .
H27 H 0.4434 0.4044 0.7976 0.063 Uiso 1 1 calc R U . . .
C28 C 0.5152(6) 0.3384(4) 0.8734(3) 0.0446(17) Uani 1 1 d . . . . .
H28 H 0.5992 0.3413 0.8686 0.054 Uiso 1 1 calc R U . . .
C29 C 0.4855(5) 0.2941(3) 0.9229(3) 0.0295(13) Uani 1 1 d . . . . .
C30 C 0.5830(5) 0.2581(3) 0.9682(3) 0.0334(14) Uani 1 1 d . . . . .
H30 H 0.6672 0.2642 0.9646 0.040 Uiso 1 1 calc R U . . .
C31 C 0.5575(5) 0.2149(3) 1.0167(3) 0.0316(14) Uani 1 1 d . . . . .
H31 H 0.6235 0.1953 1.0496 0.038 Uiso 1 1 calc R U . . .
C32 C 0.4324(5) 0.1999(3) 1.0173(2) 0.0244(12) Uani 1 1 d . . . . .
H32 H 0.4158 0.1671 1.0497 0.029 Uiso 1 1 calc R U . . .
C33 C 0.1148(5) 0.2177(3) 1.0332(2) 0.0234(12) Uani 1 1 d . . . . .
C34 C -0.0113(6) 0.2142(3) 1.0287(3) 0.0400(16) Uani 1 1 d . . . . .
H34 H -0.0651 0.1983 0.9891 0.048 Uiso 1 1 calc R U . . .
C35 C -0.0620(6) 0.2337(4) 1.0820(3) 0.059(2) Uani 1 1 d . . . . .
H35 H -0.1493 0.2292 1.0791 0.071 Uiso 1 1 calc R U . . .
C36 C 0.0144(6) 0.2591(4) 1.1379(3) 0.0514(19) Uani 1 1 d . . . . .
H36 H -0.0199 0.2736 1.1738 0.062 Uiso 1 1 calc R U . . .
C37 C 0.1389(6) 0.2637(4) 1.1426(3) 0.0481(18) Uani 1 1 d . . . . .
H37 H 0.1916 0.2814 1.1819 0.058 Uiso 1 1 calc R U . . .
C38 C 0.1908(5) 0.2430(3) 1.0912(3) 0.0395(16) Uani 1 1 d . . . . .
H38 H 0.2787 0.2461 1.0954 0.047 Uiso 1 1 calc R U . . .
C39 C 0.2277(5) 0.0902(3) 0.9939(2) 0.0215(12) Uani 1 1 d . . . . .
C40 C 0.3099(5) 0.0500(3) 0.9654(2) 0.0273(13) Uani 1 1 d . . . . .
H40 H 0.3458 0.0723 0.9330 0.033 Uiso 1 1 calc R U . . .
C41 C 0.3396(5) -0.0213(3) 0.9837(3) 0.0325(14) Uani 1 1 d . . . . .
H41 H 0.3967 -0.0476 0.9642 0.039 Uiso 1 1 calc R U . . .
C42 C 0.2882(6) -0.0551(3) 1.0293(3) 0.0405(16) Uani 1 1 d . . . . .
H42 H 0.3099 -0.1044 1.0419 0.049 Uiso 1 1 calc R U . . .
C43 C 0.2044(6) -0.0169(3) 1.0572(3) 0.0500(19) Uani 1 1 d . . . . .
H43 H 0.1663 -0.0403 1.0883 0.060 Uiso 1 1 calc R U . . .
C44 C 0.1761(5) 0.0555(3) 1.0397(3) 0.0355(15) Uani 1 1 d . . . . .
H44 H 0.1198 0.0818 1.0597 0.043 Uiso 1 1 calc R U . . .
P1 P 0.10078(12) 0.16133(7) 0.76416(6) 0.0193(3) Uani 1 1 d . . . . .
P2 P 0.17900(12) 0.18393(7) 0.96537(6) 0.0194(3) Uani 1 1 d . . . . .
Cu1 Cu 0.05294(6) 0.17595(4) 0.86359(3) 0.02227(16) Uani 1 1 d . . . . .
I1 I 0.06638(3) 0.01008(2) 0.84930(2) 0.02724(10) Uani 1 1 d . . . . .
I2 I 0.09227(4) 0.35183(2) 0.90568(2) 0.03655(11) Uani 1 1 d . . . . .
I3 I -0.18439(3) 0.19882(2) 0.84236(2) 0.02895(10) 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
C1 C10 1.377(7) . ?
C1 C2 1.441(7) . ?
C1 P1 1.850(5) . ?
C2 C3 1.425(7) . ?
C2 C7 1.434(7) . ?
C3 C4 1.372(7) . ?
C3 I1 2.104(5) . ?
C4 C5 1.391(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.346(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.400(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(8) . ?
C8 C9 1.361(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.413(8) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.383(7) . ?
C11 C16 1.402(7) . ?
C11 P1 1.837(5) . ?
C12 C13 1.381(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.371(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.395(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.376(7) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.379(7) . ?
C17 C22 1.393(7) . ?
C17 P1 1.819(5) . ?
C18 C19 1.386(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.370(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(8) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C32 1.374(6) . ?
C23 C24 1.438(7) . ?
C23 P2 1.855(5) . ?
C24 C25 1.433(7) . ?
C24 C29 1.436(7) . ?
C25 C26 1.369(7) . ?
C25 I2 2.097(5) . ?
C26 C27 1.385(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.358(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.409(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.421(7) . ?
C30 C31 1.361(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.403(7) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.367(7) . ?
C33 C38 1.389(7) . ?
C33 P2 1.829(5) . ?
C34 C35 1.401(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.360(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.350(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.380(7) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.372(7) . ?
C39 C40 1.396(7) . ?
C39 P2 1.844(5) . ?
C40 C41 1.370(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.361(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.382(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.384(8) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
P1 Cu1 2.2763(14) . ?
P2 Cu1 2.2723(14) . ?
Cu1 I3 2.5749(8) . ?
Cu1 I1 3.0372(9) . ?

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
C10 C1 C2 117.7(5) . . ?
C10 C1 P1 114.3(4) . . ?
C2 C1 P1 127.8(4) . . ?
C3 C2 C7 114.1(5) . . ?
C3 C2 C1 128.1(5) . . ?
C7 C2 C1 117.8(5) . . ?
C4 C3 C2 123.1(5) . . ?
C4 C3 I1 112.8(4) . . ?
C2 C3 I1 123.7(4) . . ?
C3 C4 C5 119.9(6) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.3(6) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 120.8(6) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C8 117.2(5) . . ?
C6 C7 C2 121.6(5) . . ?
C8 C7 C2 121.1(5) . . ?
C9 C8 C7 120.4(6) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 118.9(6) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C1 C10 C9 123.5(6) . . ?
C1 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C12 C11 C16 117.7(5) . . ?
C12 C11 P1 123.6(4) . . ?
C16 C11 P1 118.5(4) . . ?
C11 C12 C13 121.0(5) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C14 C13 C12 121.1(6) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C13 C14 C15 118.8(6) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C16 C15 C14 120.1(6) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C11 121.2(5) . . ?
C15 C16 H16 119.4 . . ?
C11 C16 H16 119.4 . . ?
C18 C17 C22 117.4(5) . . ?
C18 C17 P1 118.0(4) . . ?
C22 C17 P1 124.5(4) . . ?
C17 C18 C19 122.3(5) . . ?
C17 C18 H18 118.9 . . ?
C19 C18 H18 118.9 . . ?
C20 C19 C18 119.1(6) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C21 C20 C19 120.0(6) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.2(6) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 121.0(6) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C32 C23 C24 117.8(5) . . ?
C32 C23 P2 117.0(4) . . ?
C24 C23 P2 124.0(4) . . ?
C25 C24 C29 114.4(5) . . ?
C25 C24 C23 127.2(5) . . ?
C29 C24 C23 118.4(5) . . ?
C26 C25 C24 122.2(5) . . ?
C26 C25 I2 115.4(4) . . ?
C24 C25 I2 121.9(4) . . ?
C25 C26 C27 120.6(6) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 120.5(6) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 120.0(6) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 119.4(5) . . ?
C28 C29 C24 121.4(5) . . ?
C30 C29 C24 119.2(5) . . ?
C31 C30 C29 120.9(5) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C30 C31 C32 119.0(5) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C23 C32 C31 123.4(5) . . ?
C23 C32 H32 118.3 . . ?
C31 C32 H32 118.3 . . ?
C34 C33 C38 118.4(5) . . ?
C34 C33 P2 119.4(4) . . ?
C38 C33 P2 122.1(4) . . ?
C33 C34 C35 120.7(5) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C36 C35 C34 119.7(6) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C37 C36 C35 120.1(6) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 121.0(6) . . ?
C36 C37 H37 119.5 . . ?
C38 C37 H37 119.5 . . ?
C37 C38 C33 120.1(5) . . ?
C37 C38 H38 119.9 . . ?
C33 C38 H38 119.9 . . ?
C44 C39 C40 117.8(5) . . ?
C44 C39 P2 121.1(4) . . ?
C40 C39 P2 120.9(4) . . ?
C41 C40 C39 120.8(5) . . ?
C41 C40 H40 119.6 . . ?
C39 C40 H40 119.6 . . ?
C42 C41 C40 120.9(5) . . ?
C42 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C41 C42 C43 119.4(5) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C42 C43 C44 119.7(5) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 121.4(5) . . ?
C39 C44 H44 119.3 . . ?
C43 C44 H44 119.3 . . ?
C17 P1 C11 102.2(2) . . ?
C17 P1 C1 104.1(2) . . ?
C11 P1 C1 102.0(2) . . ?
C17 P1 Cu1 118.09(17) . . ?
C11 P1 Cu1 109.82(16) . . ?
C1 P1 Cu1 118.29(17) . . ?
C33 P2 C39 101.1(2) . . ?
C33 P2 C23 106.1(2) . . ?
C39 P2 C23 101.3(2) . . ?
C33 P2 Cu1 119.48(18) . . ?
C39 P2 Cu1 108.46(17) . . ?
C23 P2 Cu1 117.73(15) . . ?
P2 Cu1 P1 130.58(6) . . ?
P2 Cu1 I3 122.07(4) . . ?
P1 Cu1 I3 107.01(4) . . ?
P2 Cu1 I1 97.08(4) . . ?
P1 Cu1 I1 76.55(4) . . ?
I3 Cu1 I1 102.29(2) . . ?
C3 I1 Cu1 94.84(14) . . ?

_refine_diff_density_max         0.624
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.136



