Synthesis and properties of a stable, cationic, rhodium Lewis-acid catalyst for hydrosilation, Mukaiyama aldol and cyclopropanation reactions
Dias, Eric L.; Brookhart, Maurice; White, Peter S.; Chemical Communications  (2001) 423–; doi:10.1039/b007815h

data_7111154
_publ_section_title
;
 Synthesis and properties of a stable, cationic, rhodium Lewis-acid
 catalyst for hydrosilation, Mukaiyama aldol and cyclopropanation
 reactions
;
_journal_issue                   5
_journal_name_full               'Chemical Communications'
_journal_page_first              423
_journal_paper_doi               10.1039/b007815h
_journal_year                    2001
_chemical_formula_moiety         'B C73 H63 F24 N3 O Rh '
_chemical_formula_sum            'C73 H63 B F24 N3 O Rh'
_chemical_formula_weight         1567.98
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.160(1)
_cell_angle_beta                 79.835(1)
_cell_angle_gamma                86.890(1)
_cell_formula_units_Z            2
_cell_length_a                   13.3839(6)
_cell_length_b                   16.3962(7)
_cell_length_c                   16.8506(7)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    193
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.50
_cell_volume                     3585.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      193
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            45784
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.35
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_F_000             1591.15
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.68
_refine_ls_goodness_of_fit_obs   2.02
_refine_ls_matrix_type           full
_refine_ls_number_parameters     955
_refine_ls_number_reflns         17136
_refine_ls_R_factor_all          0.053
_refine_ls_R_factor_obs          0.053
_refine_ls_shift/esd_max         0.139
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0002F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.056
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          13183
_reflns_number_total             17165
_reflns_observed_criterion       'Inet > 3.0\s(Inet)'
_cod_data_source_file            b007815hsup1.cif
_cod_data_source_block           c99037
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'B C73 H63 F24 N3 O Rh '
_cod_database_code               7111154