<i>trans</i>-Bis(benzyldiphenylphosphine)carbonylchlororhodium(I)
Meijboom, Reinout; Muller, Alfred; Roodt, Andreas; Acta Crystallographica Section E 62 (2006) m682–m684; doi:10.1107/S1600536806006076

data_2208607
_publ_section_title
;
 <i>trans</i>-Bis(benzyldiphenylphosphine)carbonylchlororhodium(I)
;
_journal_coeditor_code           HG2009
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m682
_journal_page_last               m684
_journal_paper_doi               10.1107/S1600536806006076
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Rh Cl (C19 H17 P)2 (C O)]'
_chemical_formula_moiety         'C39 H34 Cl O P2 Rh'
_chemical_formula_sum            'C39 H34 Cl O P2 Rh'
_chemical_formula_weight         718.96
_chemical_name_systematic
;
trans-Carbonylchlorobis(benzyldiphenylphosphine)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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                68.873(4)
_cell_angle_beta                 80.939(5)
_cell_angle_gamma                73.061(5)
_cell_formula_units_Z            2
_cell_length_a                   9.5651(12)
_cell_length_b                   11.9457(16)
_cell_length_c                   16.4284(18)
_cell_measurement_reflns_used    9178
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.48
_cell_volume                     1672.1(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
;
Bruker X8 APEX-II Kappa 4K CCD
;
_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  0.0293
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34434
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  0.9651
_exptl_absorpt_correction_T_min  0.7927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker, 1998)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.308
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8287
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0236P)^2^+0.8407P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                7426
_reflns_number_total             8287
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2009.cif
_cod_data_source_block           I
_cod_database_code               2208607