Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes
Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.; Inorganica Chimica Acta 482 (2018) 709–716; doi:10.1016/j.ica.2018.06.015

data_1563984
_publ_section_title
;
 Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              709
_journal_page_last               716
_journal_paper_doi               10.1016/j.ica.2018.06.015
_journal_volume                  482
_journal_year                    2018
_chemical_formula_moiety         'C53 H66 Li N6 Rh'
_chemical_formula_sum            'C53 H66 Li N6 Rh'
_chemical_formula_weight         896.96
_chemical_properties_physical    'air-sensitive, moisture-sensitive'
_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'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 96.577(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.4157(9)
_cell_length_b                   15.7968(10)
_cell_length_c                   23.1132(14)
_cell_measurement_reflns_used    9693
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.3125
_cell_measurement_theta_min      2.181
_cell_volume                     5228.7(6)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method       'Bruker D8 QUEST ECO CMOS'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            197070
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.501
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    0.364
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.139
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_recrystallization_method pentane
_exptl_crystal_size_max          0.279
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         9724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0341
_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^)+(0.0307P)^2^+4.4912P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7492
_reflns_number_total             9724
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2018-482-709.cif
_cod_data_source_block           complex_5b
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1563984
_shelx_estimated_absorpt_t_min   0.905
_shelx_estimated_absorpt_t_max   0.975
_exptl_absorpt_special_details   'SADABS V2014/5 (Bruker AXS Inc.)'