[1-(Diphenylphosphino)-2-(diphenylphosphinoyl)ethane-κ<i>P</i>^1^]iodido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) dichloromethane solvate
Xiao-Lin Zhang; Wen-Hong Wu; Qian-Yong Cao; Yong-Xiu Li; Lai-Tao Luo; Acta Crystallographica Section E 63 (2007) m1602–m1603; doi:10.1107/S1600536807010392

data_2213812
_publ_section_title
;[1-(Diphenylphosphino)-2-(diphenylphosphinoyl)ethane-\k<i>P</i>^1^]iodido(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(I)
 dichloromethane solvate
;
_journal_coeditor_code           HG2177
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1602
_journal_page_last               m1603
_journal_paper_doi               10.1107/S1600536807010392
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu I (C12 H8 N2) (C26 H24 O P2)], C H2 Cl2'
_chemical_formula_moiety         'C38 H32 Cu I N2 O P2, C H2 Cl2'
_chemical_formula_sum            'C39 H34 Cl2 Cu I N2 O P2'
_chemical_formula_weight         869.97
_chemical_name_systematic
;
[1-(Diphenylphosphino)-2-(diphenylphosphinoyl)ethane-\kP^1^]iodido(1,10-
phenanthroline-\k^2^N,N')copper(I) dichloromethane solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                73.4570(10)
_cell_angle_beta                 83.2920(10)
_cell_angle_gamma                74.132(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1843(4)
_cell_length_b                   12.1788(5)
_cell_length_c                   15.0143(5)
_cell_measurement_reflns_used    1563
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.13
_cell_measurement_theta_min      2.25
_cell_volume                     1884.07(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            25497
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.659
_exptl_absorpt_correction_T_max  0.720
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.628
_refine_diff_density_min         -2.259
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         8987
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0914P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1668
_reflns_number_gt                6232
_reflns_number_total             8987
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2177.cif
_cod_data_source_block           I
_cod_original_cell_volume        1884.08(12)
_cod_database_code               2213812
_cod_database_fobs_code          2213812