[Fe2(Sb2S6)(CO)6]2+: A Cationic Group 15/16 Metal Cluster
Greg W. Drake; George L. Schimek; Joseph W. Kolis; Inorganic Chemistry 35 (1996) 4534–4535; doi:10.1021/ic9603619

data_4323876
_publ_section_title
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 [Fe2(Sb2S6)(CO)6]2+: A Cationic Group 15/16 Metal Cluster
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4534
_journal_page_last               4535
_journal_paper_doi               10.1021/ic9603619
_journal_volume                  35
_journal_year                    1996
_chemical_formula_moiety         Fe2Sb4S8C6O10F12
_chemical_formula_sum            'C2 F12 Fe2 O10 S8 Sb4'
_chemical_formula_weight         1315.21
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.23(4)
_cell_angle_beta                 111.75(3)
_cell_angle_gamma                112.96(3)
_cell_formula_units_Z            2
_cell_length_a                   12.072(5)
_cell_length_b                   14.622(6)
_cell_length_c                   10.120(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      48.5
_cell_measurement_theta_min      42.1
_cell_volume                     1504.5(12)
_diffrn_ambient_temperature      173.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.03184
_diffrn_orient_matrix_UB_12      -0.06087
_diffrn_orient_matrix_UB_13      0.04389
_diffrn_orient_matrix_UB_21      -0.08152
_diffrn_orient_matrix_UB_22      0.00938
_diffrn_orient_matrix_UB_23      -0.01621
_diffrn_orient_matrix_UB_31      -0.04490
_diffrn_orient_matrix_UB_32      -0.04354
_diffrn_orient_matrix_UB_33      -0.09738
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  12.46
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4430
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        1.46
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.142
_exptl_absorpt_correction_T_max  1.695
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.90
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_refine_diff_density_max         -2.13
_refine_diff_density_min         1.92
_refine_ls_extinction_coef       3.06817
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   4.440
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         3950
_refine_ls_R_factor_obs          0.0590
_refine_ls_shift/esd_max         0.0260
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0930
_reflns_number_observed          3950
_reflns_number_total             4330
_reflns_observed_criterion       3.00
_cod_data_source_file            ic9603619.cif
_cod_data_source_block           IC9603619_Drake_Schimek_Kolis
_cod_original_cell_volume        1504(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'Fe2 Sb4 S8 F12 C2 O10'
_cod_database_code               4323876