Synthesis and Structure of [{Mo(CO)4}2(cis-μ-F2SbF4)3]x[Sb2F11]x: An Ionic Coordination Polymer
Raimund Bröchler; Daniel Freidank; Matthias Bodenbinder; Iona H. T. Sham; Helge Willner; Steven J. Rettig; James Trotter; Friedhelm Aubke; Inorganic Chemistry 38 (1999) 3684–3687; doi:10.1021/ic981439j

data_4322176
_publ_contact_author_address
;
University of British Columbia
Department of Chemistry
2036 Main Mall
Vancouver, BC V6T 1Z1
Canada
;
_publ_contact_author_email       aubke@chem.ubc.ca
_publ_contact_author_fax         604-822-2847
_publ_contact_author_name        ' F. Aubke '
_publ_contact_author_phone       604-822-3817
_publ_section_title
;
 Synthesis and Structure of [{Mo(CO)4}2(cis-\m-F2SbF4)3]x[Sb2F11]x: An
 Ionic Coordination Polymer
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3684
_journal_page_last               3687
_journal_paper_doi               10.1021/ic981439j
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C8 F29 Mo2 O8 Sb5'
_chemical_formula_weight         1575.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             1998-02-18
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 90.532(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.234(4)
_cell_length_b                   13.858(3)
_cell_length_c                   25.790(3)
_cell_measurement_reflns_used    21454
_cell_measurement_temperature    180.2
_cell_measurement_theta_max      30.1
_cell_measurement_theta_min      2.0
_cell_volume                     3300.1(16)
_computing_cell_refinement       'd*TREK (MSC, 1998)'
_computing_data_collection       'd*TREK (MSC, 1998)'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      180.2
_diffrn_measurement_device_type  'Quantum CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.04047
_diffrn_reflns_av_sigmaI/netI    0.100
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            28221
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         30.11
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.956
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.171
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2848.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.22
_refine_diff_density_min         -3.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.741
_refine_ls_goodness_of_fit_ref   1.741
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     472
_refine_ls_number_reflns         8081
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.0005
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0971
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                5116
_reflns_number_total             8411
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            ic981439j.cif
_cod_data_source_block           fa121/{[Mo(CO)4]2(SbF6)3}[Sb2F11]
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3300.1(12)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C8 F29 Mo2 O8 Sb5 '
_cod_database_code               4322176