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_7117819
_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         '2(C37 H84 B2 O4 P4 Rh2 S2), C7 H13'
_chemical_formula_sum            'C81 H181 B4 O8 P8 Rh4 S4'
_chemical_formula_weight         2114.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                90.00
_cell_angle_beta                 118.3330(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   40.160(3)
_cell_length_b                   15.9681(11)
_cell_length_c                   20.1668(13)
_cell_measurement_reflns_used    9829
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.36
_cell_volume                     11383.3(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.1069
_diffrn_reflns_av_sigmaI/netI    0.0714
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            99844
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4460
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.833
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         11747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.929
_refine_ls_R_factor_all          0.1306
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1090P)^2^+134.3585P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1728
_refine_ls_wR_factor_ref         0.2159
_reflns_number_gt                7151
_reflns_number_total             11747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc05606c2.cif
_cod_data_source_block           r14_sk499b
_cod_original_cell_volume        11383.2(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7117819