2,2,6,6-Tetramethylpiperidinium thiocyanate, 2C~9~H~20~N^+^.2SCN^{-^}
Harrison, William T. A.; Stucky, Galen D.; Gier, Thurman E.; Acta Crystallographica Section C 50 (1994) 93–95; doi:10.1107/S0108270193006183

data_2009388
_publ_section_title
;
 2,2,6,6-Tetramethylpiperidinium thiocyanate, 2C~9~H~20~N^+^.2SCN^{-^}
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              93
_journal_page_last               95
_journal_paper_doi               10.1107/S0108270193006183
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '2H2 N1 C9 H18 , S1 C1 N1'
_chemical_formula_structural     '2 x H~2~NC~9~H~18~.SCN'
_chemical_formula_sum            'C20 H40 N4 S2'
_chemical_formula_weight         400.69
_chemical_name_systematic
;
(2,2',6,6'-Tetramethyl) Piperidine Thiocyanate
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   21.381(3)
_cell_length_b                   21.381(3)
_cell_length_c                   21.487(3)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      6.0
_cell_volume                     9823(2)
_computing_cell_refinement       'UCLA crystallographic software'
_computing_data_collection
'UCLA crystallographic software (Strouse, 1982 with local modifications)'
_computing_data_reduction        'UCLA crystallographic software'
_computing_molecular_graphics
'ORTEP (Johnson, 1976 with local modifications)'
_computing_publication_material  'local routines'
_computing_structure_refinement
'CRYSTALS (Carruthers, Watkin & Betteridge, 1990)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Huber automated diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4683
_diffrn_reflns_reduction_process 'Lehman-Larsen method'
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         0.0
_diffrn_standards_decay_%        <+-2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.22
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.084
_exptl_crystal_description       'block broken from needle'
_exptl_crystal_F_000             3520
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.22
_refine_ls_abs_structure_details '   ?'
_refine_ls_extinction_coef       37E1(2)
_refine_ls_extinction_method     Larson
_refine_ls_hydrogen_treatment    'H atoms riding on respective C/N atoms'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     236
_refine_ls_number_reflns         1893
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.01
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          1893
_reflns_number_total             4683
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hh1074.cif
_cod_data_source_block           TOZ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 26 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1.0' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        9822(3)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2009388