Bis(<i>N</i>,<i>N</i>-<i>cyclo</i>-heptamethylenedithiocarbamato-<i>S</i>,<i>S</i>')platinum(II), a Platinum Dithiocarbamate Containing a Large Carbocyclic Ring
Heath, G. A.; Hockless, D. C. R.; Prenzler, P. D.; Acta Crystallographica Section C 52 (1996) 537–539; doi:10.1107/S0108270195011383

data_2004667
_publ_section_title
;Bis(<i>N</i>,<i>N</i>-<i>cyclo</i>-heptamethylenedithiocarbamato-<i>S</i>,<i>S</i>')platinum(II),
 a Platinum Dithiocarbamate Containing a Large Carbocyclic Ring
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              537
_journal_page_last               539
_journal_paper_doi               10.1107/S0108270195011383
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Pt (C8 H14 N1 S2)2]'
_chemical_formula_moiety         'C16 H28 N2 Pt S4 '
_chemical_formula_sum            'C16 H28 N2 Pt S4'
_chemical_formula_weight         571.74
_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'
_cell_angle_alpha                90
_cell_angle_beta                 91.39(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.089(3)
_cell_length_b                   13.7810(10)
_cell_length_c                   10.141(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213.0(10)
_cell_measurement_theta_max      21.1
_cell_measurement_theta_min      18.8
_cell_volume                     990.4(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'PATTY in DIRDIF92 (Beurskens et al, 1992)'
_diffrn_ambient_temperature      213.0(10)
_diffrn_measurement_device       'Rigaku AFC6S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1998
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3
_diffrn_standards_decay_%        0.61
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.478
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type
'empirical using azimuthal (\y) scan data (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_description       prism
_exptl_crystal_F_000             560.00
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.04
_refine_diff_density_min         -1.23
_refine_ls_extinction_coef       1.2E-7(5)
_refine_ls_extinction_method
'Zachariasen (1968) type II, Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   2.820
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         1291
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0470
_reflns_number_observed          1291
_reflns_number_total             1845
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ta1052.cif
_cod_data_source_block           ta1052
_cod_original_cell_volume        990.4(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H28 N2 Pt S4 '
_cod_database_code               2004667