Chloro(dimethyl sulfoxide-κ<i>S</i>)[(1<i>R</i>,3<i>S</i>)-1,2,2-trimethylcyclopentane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']platinum(II) trichloro(dimethyl sulfoxide-κ<i>S</i>)platinum(II)
Jaramillo, David; Junk, Peter C.; Brodie, Craig R.; Aldrich-Wright, Janice R.; Acta Crystallographica Section E 62 (2006) m3377–m3379; doi:10.1107/S1600536806047817

data_2211458
_publ_section_title
;Chloro(dimethyl
 sulfoxide-\k<i>S</i>)[(1<i>R</i>,3<i>S</i>)-1,2,2-trimethylcyclopentane-1,3-diamine-\k^2^<i>N</i>,<i>N</i>']platinum(II)
 trichloro(dimethyl sulfoxide-\k<i>S</i>)platinum(II)
;
_journal_coeditor_code           HK2158
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3377
_journal_page_last               m3379
_journal_paper_doi               10.1107/S1600536806047817
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Pt Cl (C8 H18 N2) (C2 H6 O S)] [Pt Cl3 (C2 H6 O S)]'
_chemical_formula_moiety         'C10 H24 Cl N2 O Pt S +, C2 H6 Cl3 O Pt S -'
_chemical_formula_sum            'C12 H30 Cl4 N2 O2 Pt2 S2'
_chemical_formula_weight         830.48
_chemical_name_common            Pt1
_chemical_name_systematic
;
Chloro-(1R,3S)-1,3-diamino-1,2,2-trimethylcyclopentane(dimethyl sulphoxide)
platinum(II) trichloro(dimethyl sulphoxide)platinum(II)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5381(12)
_cell_length_b                   11.9979(13)
_cell_length_c                   16.5192(18)
_cell_measurement_reflns_used    14847
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.10
_cell_volume                     2286.8(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'X-SEED (Barbour, 2001) and/or ORTEPII (Johnson, 1976)????'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14847
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    12.880
_exptl_absorpt_correction_T_max  0.1485
_exptl_absorpt_correction_T_min  0.0974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.903
_refine_diff_density_min         -1.390
_refine_ls_abs_structure_details 'Flack (1983), 2253 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.002(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         5213
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0344P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                4947
_reflns_number_total             5213
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2158.cif
_cod_data_source_block           I
_cod_database_code               2211458
_cod_database_fobs_code          2211458