Tetra-μ~3~-iodo-tetrakis[(cyclohexyldiphenylphosphine-κ<i>P</i>)copper(I)]
Zaki S. Seddigi; G. M. Golzar Hossain; Afroza Banu; Acta Crystallographica Section E 63 (2007) m756–m758; doi:10.1107/S1600536807006204

data_2212648
_publ_section_title
;
 Tetra-\m~3~-iodo-tetrakis[(cyclohexyldiphenylphosphine-\k<i>P</i>)copper(I)]
;
_journal_coeditor_code           NG2211
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m756
_journal_page_last               m758
_journal_paper_doi               10.1107/S1600536807006204
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu4 I4 (C18 H21 P1)4]'
_chemical_formula_moiety         'C72 H84 Cu4 I4 P4'
_chemical_formula_sum            'C72 H84 Cu4 I4 P4'
_chemical_formula_weight         1835.03
_chemical_name_systematic
;
Tetra-\m~3~-iodo-tetrakis[(cyclohexyldiphenylphosphine-\kP)copper(I)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 116.0540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.7712(3)
_cell_length_b                   15.6704(3)
_cell_length_c                   21.9311(5)
_cell_measurement_reflns_used    8077
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.91
_cell_volume                     7030.5(2)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'SCALEPACK and DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1265
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            63740
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.081
_exptl_absorpt_correction_T_max  0.5777
_exptl_absorpt_correction_T_min  0.5013
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cuboid
_exptl_crystal_F_000             3616
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.923
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         8032
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.217
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+97.862P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                6289
_reflns_number_total             8032
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2211.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212648
_cod_database_fobs_code          2212648