Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes
O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.; Organometallics 30 (2011) 2105–; doi:10.1021/om1009473

data_4063791
_publ_section_title
;
 Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium
 Complexes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2105
_journal_paper_doi               10.1021/om1009473
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C64 H55 B F24 P Rh'
_chemical_formula_weight         1424.77
_space_group_IT_number           15
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 97.883(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   36.1427(11)
_cell_length_b                   13.1127(4)
_cell_length_c                   25.4551(8)
_cell_measurement_temperature    100(2)
_cell_volume                     11949.9(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_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  0.0648
_diffrn_reflns_av_sigmaI/netI    0.0674
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            96198
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.429
_exptl_absorpt_correction_T_max  0.9384
_exptl_absorpt_correction_T_min  0.9306
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5760
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.079
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     863
_refine_ls_number_reflns         18280
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+22.0400P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                12173
_reflns_number_total             18280
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om1009473_si_002.cif
_cod_data_source_block           iiia049_0m
_cod_database_code               4063791