Bis[tris(2-hydroxyethyl)ammonium] Hexachloroplatinate(IV)
Yilmaz, V. T.; İçbudak, H.; Howie, R. A.; Acta Crystallographica Section C 53 (1997) 294–296; doi:10.1107/S0108270196011341

data_2005959
_publ_section_title
;
 Bis[tris(2-hydroxyethyl)ammonium] Hexachloroplatinate(IV)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              294
_journal_page_last               296
_journal_paper_doi               10.1107/S0108270196011341
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '(C6 H16 N O3)2 [Pt Cl6]'
_chemical_formula_moiety         '2C6 H16 N O3 1+ , Pt Cl6 2-'
_chemical_formula_sum            'C12 H32 Cl6 N2 O6 Pt'
_chemical_formula_weight         708.21
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 102.90(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   7.570(3)
_cell_length_b                   13.670(6)
_cell_length_c                   11.560(5)
_cell_measurement_reflns_used    14
_cell_measurement_temperature    298
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1166.1(9)
_computing_cell_refinement
;
NICOLET P3 software
;
_computing_data_collection
;
NICOLET P3 software
;
_computing_data_reduction
;
RDNIC (Howie, 1980)
;
_computing_molecular_graphics
;
ORTEX (McArdle, 1994); PLOTAID (Cradwick, 1980)
;
_computing_structure_refinement
;
SHELX76 (Sheldrick, 1976)
;
_computing_structure_solution
;
SHELXS86 (Sheldrick, 1990)
;
_diffrn_measurement_device       'Nicolet P3'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2319
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        '2.2 and 2.8'
_diffrn_standards_interval_time  50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    6.8026
_exptl_absorpt_correction_T_max  0.2261
_exptl_absorpt_correction_T_min  0.1373
_exptl_absorpt_correction_type   '\y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_density_method    none
_exptl_crystal_description       tabular
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.8
_refine_diff_density_min         -1.1
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.02
_refine_ls_hydrogen_treatment    'H atoms, see text'
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1493
_refine_ls_R_factor_obs          0.029
_refine_ls_shift/esd_max
'0.05, but as high as 0.49 for U~11~ of O(1) and 0.86 for x of H(O1)'
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.024
_reflns_number_observed          1493
_reflns_number_total             1861
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            ab1374.cif
_cod_data_source_block           ab1374a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w=1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w=1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1166.0(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005959