Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl]
Bruhn, Clemens; Preetz, Wilhelm; Acta Crystallographica Section C 50 (1994) 1687–1690; doi:10.1107/S0108270194006633

data_2010225
_publ_section_title
;
 Dipyridiniomethane chloropentafluoroosmate(IV),
 [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1687
_journal_page_last               1690
_journal_paper_doi               10.1107/S0108270194006633
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     '[(C5 H5 N)2 CH2][Os F5 Cl]'
_chemical_formula_sum            'C11 H12 Cl F5 N2 Os'
_chemical_formula_weight         492.88
_chemical_name_common            Dipyridiniomethane-Pentafluoroosmate(IV)
_chemical_name_systematic
;
 Dipyridiniomethane-Pentafluoroosmate(IV)
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.515(10)
_cell_length_b                   13.295(10)
_cell_length_c                   9.349(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.98
_cell_measurement_theta_min      6.62
_cell_volume                     1307(2)
_computing_cell_refinement
;
 CAD-4 Software (Enraf-Nonius, 1993)
;
_computing_data_collection
;
 CAD-4 Software (Enraf-Nonius, 1993)
;
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4-Turbo 4 Cycle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2290
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.66
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.011
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.35
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.505
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.031
_refine_diff_density_min         -.816
_refine_ls_extinction_coef       0.0039(2)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   1.173
_refine_ls_goodness_of_fit_obs   1.178
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     122
_refine_ls_number_reflns         1200
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_restrained_S_obs      1.178
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_obs          0.0196
_refine_ls_shift/esd_max         0.002
_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^) + (0.0274P)^2^ + 1.6802P],
 where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0508
_refine_ls_wR_factor_obs         0.0489
_reflns_number_observed          1118
_reflns_number_total             1201
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            pa1129.cif
_cod_data_source_block           tof5a2
_cod_original_cell_volume        1307.(2)
_cod_database_code               2010225