Carbonyl(8-hydroxyquinolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2,3,4,5,6-pentafluorophenyl)phosphine-κ<i>P</i>]rhodium(I)
Janse van Rensburg, J. Marthinus; Roodt, Andreas; Acta Crystallographica Section E 62 (2006) m2981–m2983; doi:10.1107/S1600536806040190

data_2210875
_publ_section_title
Carbonyl(8-hydroxyquinolinato-\k^2^<i>N</i>,<i>O</i>)[tris(2,3,4,5,6-pentafluorophenyl)phosphine-\k<i>P</i>]rhodium(I)
_journal_coeditor_code           BI2048
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2981
_journal_page_last               m2983
_journal_paper_doi               10.1107/S1600536806040190
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Rh (C9 H6 N O) (C18 F15 P) (C O)]'
_chemical_formula_moiety         'C28 H6 F15 N O2 P Rh'
_chemical_formula_sum            'C28 H6 F15 N O2 P Rh'
_chemical_formula_weight         807.22
_chemical_name_systematic
;
Carbonyl[tris(2,3,4,5,6-pentafluorophenyl)phosphine-\kP](8-
hydroxyquinolinato-\k^2^N,O)rhodium(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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000
_cell_angle_beta                 104.930(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   19.975(5)
_cell_length_b                   12.764(5)
_cell_length_c                   22.241(5)
_cell_measurement_reflns_used    988
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      5.41
_cell_volume                     5479(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'DIAMOND (Brandenburg, 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 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            18540
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.9
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.443
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6595
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.937
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0259P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0791
_reflns_number_gt                3842
_reflns_number_total             6595
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2048.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2210875
_cod_database_fobs_code          2210875