Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes
Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo; ACS Catalysis 11 (2021) 10190–10197; doi:10.1021/acscatal.1c02129

data_4518937
_publ_section_title
;
 Distinct Catalytic Performance of Dirhodium(II) Complexes with
 ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with
 Alkoxysilanes
;
_journal_issue                   16
_journal_name_full               'ACS Catalysis'
_journal_page_first              10190
_journal_page_last               10197
_journal_paper_doi               10.1021/acscatal.1c02129
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C34 H39 O7 P3 Rh2'
_chemical_formula_sum            'C34 H39 O7 P3 Rh2'
_chemical_formula_weight         858.38
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_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
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_cell_angle_beta                 90
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      68.26
_cell_measurement_theta_min      3.39
_cell_volume                     3455.76(11)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.257
_diffrn_reflns_theta_min         3.387
_exptl_absorpt_coefficient_mu    9.428
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_exptl_transmission_factor_max   0.7531
_exptl_transmission_factor_min   0.3729
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3255
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0238
_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^)+(0.0283P)^2^+1.9389P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0559
_refine_ls_wR_factor_ref         0.0576
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2931
_reflns_number_total             3255
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs1c02129_si_002.cif
_cod_data_source_block           aa_a
_cod_depositor_comments
'Adding full bibliography for 4518936--4518937.cif.'
_cod_database_code               4518937
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.231
_shelx_estimated_absorpt_t_max   0.267
_shelx_res_checksum              13708
_shelx_hkl_checksum              39642