Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)
Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Yamin, Bohari M.; Hashim, Norhayati; Acta Crystallographica Section C 56 (2000) 664–665; doi:10.1107/S0108270100002912

data_2011061
_publ_section_title
;
 Bis(ferrocenium) bis[tetrachloroantimonate(III)]
 trichloroantimony(III)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              664
_journal_page_last               665
_journal_paper_doi               10.1107/S0108270100002912
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Fe (C5 H5)2]2 [Sb Cl4]2 [Sb Cl3]'
_chemical_formula_moiety         '2C10 H10 Fe + , 2Cl4 Sb - , Cl3 Sb'
_chemical_formula_sum            'C20 H20 Cl11 Fe2 Sb3'
_chemical_formula_weight         1127.26
_chemical_name_systematic
;
Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                80.030(10)
_cell_angle_beta                 84.420(10)
_cell_angle_gamma                62.920(10)
_cell_formula_units_Z            2
_cell_length_a                   11.615(2)
_cell_length_b                   12.0000(10)
_cell_length_c                   13.7890(10)
_cell_measurement_reflns_used    41
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.32
_cell_measurement_theta_min      5.02
_cell_volume                     1685.0(4)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and PLATON (Spek, 1990)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .046
_diffrn_reflns_av_sigmaI/netI    .112
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6898
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.100
_exptl_absorpt_correction_T_max  .735
_exptl_absorpt_correction_T_min  .320
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '\y scans (XSCANS; Siemens, 1994)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    2.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          .36
_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .08
_refine_diff_density_max         .711
_refine_diff_density_min         -1.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .81
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .81
_refine_ls_R_factor_all          .086
_refine_ls_R_factor_gt           .040
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0226P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .085
_reflns_number_gt                3378
_reflns_number_total             5935
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1355.cif
_cod_data_source_block           I
_cod_original_cell_volume        1685.0(3)
_cod_database_code               2011061
_cod_database_fobs_code          2011061