<i>trans</i>-Bis(2-amino-6-nitro-1,3-benzothiazole-<i>N</i>)dichloroplatinum(II) tetrakis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^4^)platinum(II) hexachloroplatinate(IV) bis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate
Daniel E. Lynch; Helen L. Duckhouse; Acta Crystallographica Section C 57 (2001) 1036–1038; doi:10.1107/S0108270101009933

data_2012210
_publ_section_title
;<i>trans</i>-Bis(2-amino-6-nitro-1,3-benzothiazole-<i>N</i>)dichloroplatinum(II)
 tetrakis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate and
 tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^4^)platinum(II)
 hexachloroplatinate(IV) bis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1036
_journal_page_last               1038
_journal_paper_doi               10.1107/S0108270101009933
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Pt Cl2 (C7 H5 N3 O2 S)2], 4C3 H7 N O'
_chemical_formula_moiety         'C14 H10 Cl2 N6 O4 Pt S2, 4C3 H7 N O'
_chemical_formula_sum            'C26 H38 Cl2 N10 O8 Pt S2'
_chemical_formula_weight         948.77
_chemical_name_systematic
;
trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II)
tetrakis(N,N'-dimethylformamide) solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                64.28(3)
_cell_angle_beta                 85.77(3)
_cell_angle_gamma                78.28(3)
_cell_formula_units_Z            2
_cell_length_a                   11.137(2)
_cell_length_b                   12.671(3)
_cell_length_c                   14.409(3)
_cell_measurement_reflns_used    29063
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     1793.5(8)
_computing_cell_refinement       'DENZO and COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO and COLLECT'
_computing_molecular_graphics    'PLATON97 (Spek, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full .992
_diffrn_measured_fraction_theta_max .992
_diffrn_measurement_device_type  'Enraf-Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0660
_diffrn_reflns_av_sigmaI/netI    .0537
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29010
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.14
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.238
_exptl_absorpt_correction_T_max  .816
_exptl_absorpt_correction_T_min  .389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             944
_exptl_crystal_size_max          .28
_exptl_crystal_size_mid          .08
_exptl_crystal_size_min          .05
_refine_diff_density_max         2.45
_refine_diff_density_min         -2.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8177
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          .0449
_refine_ls_R_factor_gt           .0370
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0561P)^2^+0.4358P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0938
_reflns_number_gt                7229
_reflns_number_total             8177
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg1066.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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        1793.4(6)
_cod_database_code               2012210