<i>trans</i>-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane-κ<i>P</i>]rhodium(I)
Ogutu, Hezron; Kirsten, Leo; Meijboom, Reinout; Acta Crystallographica Section E 68 (2012) m545–; doi:10.1107/S1600536812013669

data_2234561
_publ_section_title
;
 <i>trans</i>-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane-\k<i>P</i>]rhodium(I)
;
_journal_coeditor_code           CV5270
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m545
_journal_paper_doi               10.1107/S1600536812013669
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Rh Cl (C20 H17 P)2 (C O)]'
_chemical_formula_moiety         'C41 H34 Cl O P2 Rh'
_chemical_formula_sum            'C41 H34 Cl O P2 Rh'
_chemical_formula_weight         742.98
_chemical_name_systematic
;
<i>trans</i>-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane-
\k<i>P</i>]rhodium(I)
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                85.727(2)
_cell_angle_beta                 68.475(2)
_cell_angle_gamma                62.295(2)
_cell_formula_units_Z            1
_cell_length_a                   9.9030(4)
_cell_length_b                   9.9310(4)
_cell_length_c                   10.4150(4)
_cell_measurement_reflns_used    8410
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.31
_cell_measurement_theta_min      4.60
_cell_volume                     837.85(6)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11163
_diffrn_reflns_theta_full        66.31
_diffrn_reflns_theta_max         66.31
_diffrn_reflns_theta_min         4.6
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.005
_exptl_absorpt_correction_T_max  0.4023
_exptl_absorpt_correction_T_min  0.1072
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' rectangular'
_exptl_crystal_F_000             380
_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.064
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         2941
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+0.5512P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0573
_reflns_number_gt                2850
_reflns_number_total             2941
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cv5270.cif
_cod_data_source_block           I
_cod_database_code               2234561
_cod_database_fobs_code          2234561