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_4339798
_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_moiety
'C84 H132 Cl2 N12 Rh3, 3(C28 H44 N4 Rh), 3(C6 H6), 4(Cl), 16(O)'
_chemical_formula_sum            'C186 H314 Cl6 N24 O16 Rh6'
_chemical_formula_weight         3972.78
_chemical_name_common
'[(C6H11NC)12Rh3Cl2][(C6H11NC)8Rh2]][(C6H11NC)4Rh](Cl6).16H2O.3benzene'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 91.086(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.101(4)
_cell_length_b                   20.105(3)
_cell_length_c                   23.857(4)
_cell_measurement_reflns_used    6585
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      24
_cell_measurement_theta_min      2.1
_cell_volume                     10119(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART Apex II'
_diffrn_measurement_method       \w
_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  0.2060
_diffrn_reflns_av_sigmaI/netI    0.1477
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            97063
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         1.65
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.619
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4196
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         4.034
_refine_diff_density_min         -1.628
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1003
_refine_ls_number_reflns         18536
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.2070
_refine_ls_R_factor_gt           0.1227
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1445P)^2^+153.9740P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2888
_refine_ls_wR_factor_ref         0.3487
_reflns_number_gt                9868
_reflns_number_total             18536
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic7008013-file004.cif
_cod_data_source_block           mn1766
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4339798