Some studies of the substitution chemistry of [Rh2(OAc)2(CH3CN)4][BF4]2 with monodentate and bidentate tertiary phosphines †
Chisholm, Malcolm H.; Huffman, John C.; Iyer, Suri S.; Journal of the Chemical Society, Dalton Transactions  (2000) 1483–; doi:10.1039/b001444n

data_7009508
_publ_section_title
;
 Some studies of the substitution chemistry of
 [Rh2(OAc)2(CH3CN)4][BF4]2 with monodentate and bidentate tertiary
 phosphines&#x200A;&#x2020;
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1483
_journal_paper_doi               10.1039/b001444n
_journal_year                    2000
_chemical_formula_sum            'C40 H72 B F4 N2 P2 Rh'
_chemical_formula_weight         832.683
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8789(10)
_cell_length_b                   13.2748(14)
_cell_length_c                   16.7055(17)
_cell_measurement_reflns_used    138
_cell_measurement_temperature    293.
_cell_measurement_theta_max      15.39
_cell_measurement_theta_min      12.02
_cell_volume                     2190.8(4)
_computing_cell_refinement       'XTEL, local package'
_computing_data_collection       'NPS, local program'
_computing_data_reduction        'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    MULTAN78
_diffrn_ambient_temperature      293.
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'refurbished Picker diffractometer'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2975
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         22.5016
_diffrn_reflns_theta_min         3.06889
_diffrn_standards_decay_%        0.7
_diffrn_standards_interval_count 400
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.5072
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'cleaved fragment'
_exptl_crystal_F_000             884
_exptl_crystal_size_max          .45
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .30
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.39
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       0.00000196(12)
_refine_ls_extinction_expression
;
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.4544
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         2918
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.0095
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.03F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0261
_reflns_number_gt                2854
_reflns_number_total             2975
_reflns_threshold_expression     F^2^>1.00\s(F^2^)
_cod_data_source_file            b001444n.txt
_cod_data_source_block           MSC95074
_cod_original_formula_sum        'C40 H72 B1 F4 N2 P2 Rh1'
_cod_database_code               7009508