<i>cis</i>-Bis(dimethyl sulfide)dinitratoplatinum(II) at 295 and 150K
Hansson, Christian; Oskarsson, Åke; Acta Crystallographica Section C 63 (2007) m465–m468; doi:10.1107/S0108270107040504

data_2016197
_publ_section_title
;
 <i>cis</i>-Bis(dimethyl sulfide)dinitratoplatinum(II) at 295 and 150K
;
_journal_coeditor_code           GG3113
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m465
_journal_page_last               m468
_journal_paper_doi               10.1107/S0108270107040504
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt (N O3)2 (C2 H6 S)2]'
_chemical_formula_moiety         'C4 H12 N2 O6 Pt S2'
_chemical_formula_sum            'C4 H12 N2 O6 Pt S2'
_chemical_formula_weight         443.37
_chemical_name_systematic
;
cis-Bis(dimethyl sulfide)dinitratoplatinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.940(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.9689(7)
_cell_length_b                   9.5020(3)
_cell_length_c                   16.0399(7)
_cell_measurement_reflns_used    12110
_cell_measurement_temperature    150.0(10)
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_cell_measurement_theta_min      2.52
_cell_volume                     2340.26(17)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED Oxford Diffraction, 2006)'
_computing_molecular_graphics
'DIAMOND (Brandenburg, 2000) and Mercury (Macrae <i>et al.</i>,  2006)'
_computing_publication_material
;
CRYSTALS (Betteridge <i>et al.</i>,  2003) and
enCIFer (Allen <i>et al.</i>,  2004)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 1998)'
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      150.0(10)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'Oxford Diffraction XCALIBUR3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         32.79
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 0
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.358
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_exptl_absorpt_process_details   'CrysAlis RED (Oxford Diffraction, 2006)'
_exptl_crystal_colour            'Pale yellow'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8007
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_refine_ls_shift/su_max          0.002
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0355P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0769
_reflns_number_gt                6244
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg3113.cif
_cod_data_source_block           I_150
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Numerical' changed to 'numerical'
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:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' 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_cell_volume        2340.26(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2016197
_cod_database_fobs_code          2016197