(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)
Motente, Mokete A.; Venter, Johan; Brink, Alice; IUCrData 8 (2023) x230355–; doi:10.1107/S2414314623003553

data_1568965
_publ_section_title
;
 (N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)
;
_journal_coeditor_code           WM4184
_journal_issue                   4
_journal_name_full               IUCrData
_journal_page_first              x230355
_journal_paper_doi               10.1107/S2414314623003553
_journal_volume                  8
_journal_year                    2023
_chemical_formula_iupac          '[Rh (C13 H10 N O2) (C18 H15 As1) (C O)]'
_chemical_formula_moiety         'C32 H25 As N O3 Rh'
_chemical_formula_sum            'C32 H25 As N O3 Rh'
_chemical_formula_weight         649.36
_chemical_name_systematic
(<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                81.516(6)
_cell_angle_beta                 83.142(6)
_cell_angle_gamma                72.351(7)
_cell_formula_units_Z            2
_cell_length_a                   9.5178(17)
_cell_length_b                   10.1995(19)
_cell_length_c                   14.589(2)
_cell_measurement_reflns_used    9339
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.25
_cell_volume                     1330.6(4)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009) and DIAMOND (Brandenburg & Putz,
2005)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            38485
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.995
_diffrn_reflns_theta_min         2.110
_exptl_absorpt_coefficient_mu    1.910
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_description       plate
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.031
_refine_diff_density_max         1.139
_refine_diff_density_min         -0.612
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0141P)^2^+1.8613P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0739
_reflns_number_gt                5747
_reflns_number_total             6425
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4184.cif
_cod_data_source_block           I
_cod_original_cell_volume        1330.7(4)
_cod_database_code               1568965
_shelx_estimated_absorpt_t_min   0.690
_shelx_estimated_absorpt_t_max   0.943