Adventures in crystallization. Crystalline salts containing one, two, or even three chemically distinct cations obtained from solutions of [(cyclohexyl isocyanide)(4)Rh(I)]+.
Tran, Ngon T.; Stork, Jay R.; Pham, David; Chancellor, Christopher J.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.; Inorganic chemistry 46 (2007) 7998–8007; doi:10.1021/ic7008013

data_4339797
_publ_section_title
;
 Adventures in crystallization. Crystalline salts containing one, two, or
 even three chemically distinct cations obtained from solutions of
 [(cyclohexyl isocyanide)(4)Rh(I)]+.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7998
_journal_page_last               8007
_journal_paper_doi               10.1021/ic7008013
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C56 H88 B2 Cl2 F8 N8 Rh2'
_chemical_formula_weight         1323.68
_chemical_name_common            '[(C6H11NC)8Rh2](BF4)2'
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.576(3)
_cell_angle_beta                 82.919(3)
_cell_angle_gamma                74.413(3)
_cell_formula_units_Z            2
_cell_length_a                   12.1642(7)
_cell_length_b                   13.3121(7)
_cell_length_c                   20.4320(11)
_cell_measurement_reflns_used    6841
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.55
_cell_measurement_theta_min      2.36
_cell_volume                     3162.4(3)
_computing_cell_refinement       'SAINT (7.16b) (Bruker, 2004)'
_computing_data_collection       'Apex2 (1.0.27) (Bruker, 2004)'
_computing_data_reduction        'SAINT (7.16b) (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       '\w and \f'
_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  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35591
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.671
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2004)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.171
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         14502
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0422
_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^)+(0.0410P)^2^+5.0466P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                11713
_reflns_number_total             14502
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic7008013-file001.cif
_cod_data_source_block           cjc71
_cod_database_code               4339797