Conversion of a Re(IV) Tetrahedral Cluster to a Re(III) Octahedral Cluster: Synthesis of [(CH3)C(NH2)2]4[Re6Se8(CN)6] by a Solvothermal Route
Mehtap Emirdag-Eanes; James A. Ibers; Inorganic Chemistry 41 (2002) 6170–6171; doi:10.1021/ic020433y

data_4318915
_publ_section_title
;
 Conversion of a Re(IV) Tetrahedral Cluster to a Re(III) Octahedral
 Cluster: Synthesis of [(CH3)C(NH2)2]4[Re6Se8(CN)6] by a Solvothermal
 Route
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6170
_journal_page_last               6171
_journal_paper_doi               10.1021/ic020433y
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C14 H28 N14 Re6 Se8'
_chemical_formula_weight         2141.38
_chemical_name_systematic
;
  ?
;
_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   calculated
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.7540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.3113(14)
_cell_length_b                   10.1332(7)
_cell_length_c                   19.9981(14)
_cell_measurement_temperature    153(2)
_cell_volume                     3941.3(5)
_computing_cell_refinement       'SAINT 6.22'
_computing_data_collection       'SMART 5.054'
_computing_data_reduction        'SAINT 6.22'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker 1000 CCD'
_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  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0600
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23261
_diffrn_reflns_theta_full        28.86
_diffrn_reflns_theta_max         28.86
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    25.772
_exptl_absorpt_correction_T_max  0.522
_exptl_absorpt_correction_T_min  0.098
_exptl_absorpt_correction_type   'face-indexed numerical'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3728
_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.026
_refine_diff_density_max         2.720
_refine_diff_density_min         -1.425
_refine_diff_density_rms         0.379
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         4873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0858
_refine_ls_wR_factor_ref         0.0924
_reflns_number_gt                3414
_reflns_number_total             4873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020433y.cif
_cod_data_source_block           '[(CH3)C(NH2)2]4[Re6Se8(CN)6]'
_cod_database_code               4318915