Carbonyl(8-hydroxyquinolinato)[tris(2-methylphenyl) phosphite]rhodium(I)
Janse van Rensburg, J. Marthinus; Roodt, Andreas; Muller, Alfred; Meijboom, Reinout; Acta Crystallographica Section E 61 (2005) m2743–m2745; doi:10.1107/S1600536805038912

data_2207436
_publ_section_title
;
 Carbonyl(8-hydroxyquinolinato)[tris(2-methylphenyl)
 phosphite]rhodium(I)
;
_journal_coeditor_code           BD6017
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2743
_journal_page_last               m2745
_journal_paper_doi               10.1107/S1600536805038912
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Rh (C9 H6 N O) (C21 H21 O P) (C O)]'
_chemical_formula_moiety         'C31 H27 N O5 P Rh'
_chemical_formula_sum            'C31 H27 N O5 P Rh'
_chemical_formula_weight         627.42
_chemical_name_systematic
;
Carbonyl(8-hydroxyquinolinato)[tris(2-methylphenyl) phosphite]rhodium(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000
_cell_angle_beta                 101.546(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   7.652(5)
_cell_length_b                   20.370(5)
_cell_length_c                   18.173(5)
_cell_measurement_reflns_used    3375
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.215
_cell_measurement_theta_min      2.289
_cell_volume                     2775(2)
_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 & Berndt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
Bruker X8 Apex 4K Kappa CCD
;
_diffrn_measurement_method       '\w and \y'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15688
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_T_max  0.9154
_exptl_absorpt_correction_T_min  0.8575
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            ' yellow'
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' needle'
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.551
_refine_diff_density_min         -0.952
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         6869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0334P)^2^+2.2331P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0942
_reflns_number_gt                4794
_reflns_number_total             6869
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bd6017.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               2207436
_cod_database_fobs_code          2207436