Crystal structure of μ-fluorido-bis{(η^4^-cyclooctadiene)[hexafluoridoantimonato(V)]platinum(II)} hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate
Seppelt, Konrad; Friedemann, Roland; Acta Crystallographica Section E 72 (2016) 14–16; doi:10.1107/S2056989015022835

data_2241381
_publ_section_title
;
 Crystal structure of
 \m-fluorido-bis{(\h^4^-cyclooctadiene)[hexafluoridoantimonato(V)]platinum(II)}
 hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate
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_journal_coeditor_code           WM5233
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              14
_journal_page_last               16
_journal_paper_doi               10.1107/S2056989015022835
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Pt2 F (Sb F6)2 (C8 H12)2] Sb F6, 0.75H F'
_chemical_formula_moiety         'C16 H24 F13 Pt2 Sb2 +, F6 Sb -, 0.75(H F)'
_chemical_formula_sum            'C16 H24.75 F19.75 Pt2 Sb3'
_chemical_formula_weight         1347.77
_chemical_name_systematic
'\m-Fluorido-bis{(\h^4^-cyclooctadiene)[hexafluoridoantimonato(V)-\k<i>F</i>]platinum(II)} hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 100.61(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.325(4)
_cell_length_b                   15.101(6)
_cell_length_c                   18.273(7)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      18.3
_cell_measurement_theta_min      2.0
_cell_volume                     3072(2)
_computing_cell_refinement
;
SAINT (Bruker, 2006)
;
_computing_data_collection
;
SMART (Bruker, 2006)
;
_computing_data_reduction
;
SAINT (Bruker, 2006)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            47396
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.593
_diffrn_reflns_theta_min         1.762
_exptl_absorpt_coefficient_mu    11.806
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2006)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.912
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2410
_exptl_crystal_size_max          .10
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .02
_refine_diff_density_max         1.961
_refine_diff_density_min         -1.657
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         9265
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0136P)^2^+38.0407P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                7778
_reflns_number_total             9265
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5233sup1.cif
_cod_data_source_block           I
_cod_depositor_comments
;Adding full bibliography for 2241381.cif.

 Adding full bibliography for 2241381.cif.
;
_cod_original_cell_volume        3071.7(19)
_cod_database_code               2241381
_cod_database_fobs_code          2241381
_shelx_hkl_checksum              29250
_shelx_res_checksum              92492