(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl(cyclohexyldiphenylphosphine-κ<i>P</i>)rhodium(I)
Brink, Alice; Roodt, Andreas; Visser, Hendrik G.; Acta Crystallographica Section E 63 (2007) m2831–m2832; doi:10.1107/S1600536807052427

data_2216077
_publ_section_title
(Acetylacetonato-\k^2^<i>O</i>,<i>O</i>')carbonyl(cyclohexyldiphenylphosphine-\k<i>P</i>)rhodium(I)
_journal_coeditor_code           NG2345
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2831
_journal_page_last               m2832
_journal_paper_doi               10.1107/S1600536807052427
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Rh (C5 H7 O2) (C18 H21 P) (C O)]'
_chemical_formula_moiety         'C24 H28 O3 P Rh'
_chemical_formula_sum            'C24 H28 O3 P Rh'
_chemical_formula_weight         498.34
_chemical_name_systematic
;(Acetylacetonato-\k^2^<i>O</i>,<i>O</i>')carbonyl(cyclohexyldiphenylphosphine-
\kP)rhodium(I)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4682(5)
_cell_length_b                   12.7534(6)
_cell_length_c                   18.4602(9)
_cell_measurement_reflns_used    7313
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.42
_cell_volume                     2229.10(19)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction
'SAINT-Plus (Bruker, 2004) 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    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type
;
Bruker X8 APEXII 4K KappaCCD
;
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12624
_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         27
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.86
_exptl_absorpt_correction_T_max  0.9502
_exptl_absorpt_correction_T_min  0.7141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker, 2004)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.419
_exptl_crystal_size_mid          0.271
_exptl_crystal_size_min          0.063
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.616
_refine_ls_abs_structure_details 'Flack (1983), 2064 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         4825
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0301P)^2^+1.1230P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.061
_reflns_number_gt                4672
_reflns_number_total             4825
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2345.cif
_cod_data_source_block           I
_cod_database_code               2216077
_cod_database_fobs_code          2216077