Dipyridiniomethane <i>cis</i>-dichlorotetrafluoroosmate(IV)
Bruhn, Clemens; Preetz, Wilhelm; Acta Crystallographica Section C 50 (1994) 1555–1557; doi:10.1107/S010827019400627X

data_2010083
_publ_section_title
;
 Dipyridiniomethane <i>cis</i>-dichlorotetrafluoroosmate(IV)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1555
_journal_page_last               1557
_journal_paper_doi               10.1107/S010827019400627X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H12 Cl2 F4 N2 Os1'
_chemical_formula_structural     '[(C5H5N)CH2][OsF4Cl2]'
_chemical_formula_sum            'C11 H12 Cl2 F4 N2 Os'
_chemical_formula_weight         509.33
_chemical_name_systematic
;
cis-N,N'-dipyridiniomethane Dichlorotetrafluoroosmate(IV)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.172(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9689(3)
_cell_length_b                   6.7658(3)
_cell_length_c                   28.994(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.897
_cell_measurement_theta_min      6.490
_cell_volume                     1367.07(13)
_computing_cell_refinement       CAD4-PC
_computing_data_collection       'CAD4-PC (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEPII (Johnson 1976)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'CAD4-Turbo four-circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  Zr
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            2612
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.81
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.754
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   'empirical, \y sans'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.475
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.410
_refine_diff_density_min         -2.181
_refine_ls_extinction_coef       0.0363(12)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1994)'
_refine_ls_goodness_of_fit_all   1.186
_refine_ls_goodness_of_fit_obs   1.159
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         2384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.187
_refine_ls_restrained_S_obs      1.159
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_obs          0.0294
_refine_ls_shift/esd_max         0.006
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^) + (0.0600P)^2^
+3.3849P] where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1687
_refine_ls_wR_factor_obs         0.0846
_reflns_number_observed          2150
_reflns_number_total             2402
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bk1048.cif
_cod_data_source_block           cf4a2
_cod_original_cell_volume        1367.07(14)
_cod_original_sg_symbol_Hall     '-P 2yn'
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_original_formula_sum        'C11 H12 Cl2 F4 N2 Os1'
_cod_database_code               2010083