Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex
Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein; Chem.Commun. 51 (2015) 14613–; doi:10.1039/C5cc05606C

data_7117818
_publ_section_title
;
 Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2:
 isolation of a carbido complex
;
_journal_name_full               Chem.Commun.
_journal_page_first              14613
_journal_paper_doi               10.1039/C5cc05606C
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C50 H94 B2 N2 O6 P4 Rh2'
_chemical_formula_sum            'C25 H47 B N O3 P2 Rh'
_chemical_formula_weight         585.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-03 deposited with the CCDC.
2015-08-12 downloaded from the CCDC.
;
_cell_angle_alpha                83.982(5)
_cell_angle_beta                 80.950(4)
_cell_angle_gamma                82.455(5)
_cell_formula_units_Z            2
_cell_length_a                   9.0037(11)
_cell_length_b                   11.2268(13)
_cell_length_c                   15.1421(16)
_cell_measurement_temperature    150(2)
_cell_volume                     1492.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0751
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30204
_diffrn_reflns_theta_full        26.44
_diffrn_reflns_theta_max         26.44
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    0.703
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX2'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.323
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.28(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     616
_refine_ls_number_reflns         12047
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                10115
_reflns_number_total             12047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc05606c2.cif
_cod_data_source_block           c:\users\admin\desktop\sk435
_cod_database_code               7117818