1,2-Addition of Dihydrogen across Rhodium(III)-OMe Bonds.
Burgess, Samantha A.; Devarajan, Deepa; Bolaño, Tamara; Ess, Daniel H.; Gunnoe, T. Brent; Sabat, Michal; Myers, William H.; Inorganic chemistry 53 (2014) 5328–5340; doi:10.1021/ic500636m

data_4338347
_publ_section_title
;
 1,2-Addition of Dihydrogen across Rhodium(III)-OMe Bonds.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5328
_journal_page_last               5340
_journal_paper_doi               10.1021/ic500636m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C43 H59 Cl4 F6 N4 O7 Rh S'
_chemical_formula_weight         1134.71
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 92.558(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.702(2)
_cell_length_b                   11.6629(15)
_cell_length_c                   27.868(4)
_cell_measurement_reflns_used    9945
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      3.57
_cell_volume                     5098.4(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            66695
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.241
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6617
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       block
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.320
_exptl_transmission_factor_max   'not measured'
_exptl_transmission_factor_min   'not measured'
_refine_diff_density_max         2.011
_refine_diff_density_min         -1.581
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         10370
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+40.9274P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1610
_refine_ls_wR_factor_ref         0.1653
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9374
_reflns_number_total             10370
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic500636m_si_001.cif
_cod_data_source_block           C43H59Cl4F6N4O7SRh
_cod_depositor_comments
'Adding full bibliography for 4338347--4338348.cif.'
_cod_original_cell_volume        5098.4(11)
_cod_database_code               4338347
_shelx_estimated_absorpt_t_min   0.761
_shelx_estimated_absorpt_t_max   0.817