#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:34:49 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257506 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/54/7705421.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_7705421
loop_
_publ_author_name
'Duval, Maryne'
'Blons, Charlie'
'Mallet-Ladeira, Sonia'
'Delcroix, Damien'
'Magna, Lionel'
'Olivier-Bourbigou, Hélène'
'Sosa Carrizo, E. Daiann'
'Miqueu, Karinne'
'Amgoune, Abderrahmane'
'Szalóki, György'
'Bourissou, Didier'
_publ_section_title
;
 Cu-Catalyzed P-C bond formation/cleavage: straightforward
 synthesis/ring-expansion of strained cyclic phosphoniums.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13100
_journal_page_last               13109
_journal_paper_doi               10.1039/d0dt03059g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C44 H32 Cu I3 P2'
_chemical_formula_sum            'C44 H32 Cu I3 P2'
_chemical_formula_weight         1066.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-04-21 deposited with the CCDC.	2020-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.961(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.971(2)
_cell_length_b                   18.180(3)
_cell_length_c                   20.965(3)
_cell_measurement_reflns_used    4599
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.29
_cell_measurement_theta_min      3.25
_cell_volume                     4075.0(12)
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_av_unetI/netI     0.0819
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            34032
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_min         4.097
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.917
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0414
_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)+(0.0293P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0819
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5631
_reflns_number_total             8600
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03059g2.cif
_cod_data_source_block           CHB148
_cod_depositor_comments          'Adding full bibliography for 7705421.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7705421
_shelx_shelxl_version_number     2014/7
_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_min   0.800
_shelx_estimated_absorpt_t_max   0.944
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'
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 . . . . .
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'
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) . . ?
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) . ?
