Hydrazinium(1+) hexafluorotitanate(IV), 2N~2~H~5~^+^.TiF~6~^2{-^}
Leban, Ivan; Jesih, Adolf; Rahten, Anka; Acta Crystallographica Section C 50 (1994) 842–843; doi:10.1107/S0108270193011795

data_2009797
_publ_section_title
;
 Hydrazinium(1+) hexafluorotitanate(IV), 2N~2~H~5~^+^.TiF~6~^2{-^}
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              842
_journal_page_last               843
_journal_paper_doi               10.1107/S0108270193011795
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '2N2 H5 +, Ti F6 2-'
_chemical_formula_sum            'F6 H10 N4 Ti'
_chemical_formula_weight         228.02
_chemical_name_systematic
;
hydrazinium(1+) hexafluorotitanate(IV)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 93.580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8150(10)
_cell_length_b                   10.0190(10)
_cell_length_c                   9.3380(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     729.72(14)
_computing_cell_refinement       'CAD-4 software'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction
;
 NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989)
;
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_publication_material
;
SHELXL-93 (Sheldrick, 1993) and BONDLA of XRAY76 (Stewart et al., 1976)
;
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution
;
 MULTAN80 (Main et al., 1980)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf Nonius CAD-4 diffractometer'
_diffrn_measurement_method       'variable rate \w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0395
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4505
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        3.2
_diffrn_standards_interval_count 500
_diffrn_standards_interval_time  40
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.235
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.076
_exptl_crystal_description       'transparent prisms'
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.460
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.50(3)
_refine_ls_goodness_of_fit_all   1.040
_refine_ls_goodness_of_fit_obs   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4227
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.039
_refine_ls_restrained_S_obs      1.067
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_obs          0.0355
_refine_ls_shift/esd_max         -1.006
_refine_ls_shift/esd_mean        0.086
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(F~o~^2^) + (0.0638P)^2^ + 0.1007P] where
P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1040
_refine_ls_wR_factor_obs         0.0923
_reflns_number_observed          3212
_reflns_number_total             4228
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            na1062.cif
_cod_data_source_block           adi
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'H10 F6 N4 Ti'
_cod_database_code               2009797