<i>trans</i>-Bis(3-hydroxypyridine-κ<i>N</i>)diiodidoplatinum(II) dimethyl sulfoxide disolvate
Huq, Fazlul; Danish, Muhammed; Starosta, Wojciech; Leciejewicz, Janusz; Acta Crystallographica Section E 67 (2011) m721–; doi:10.1107/S1600536811015893

data_2230410
_publ_section_title
;
 <i>trans</i>-Bis(3-hydroxypyridine-\k<i>N</i>)diiodidoplatinum(II)
 dimethyl sulfoxide disolvate
;
_journal_coeditor_code           LH5232
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m721
_journal_paper_doi               10.1107/S1600536811015893
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt I2 (C5 H5 N O)2], 2C2 H6 O S'
_chemical_formula_moiety         'C10 H10 I2 N2 O2 Pt, 2(C2 H6 O S)'
_chemical_formula_sum            'C14 H22 I2 N2 O4 Pt S2'
_chemical_formula_weight         795.35
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.52(3)
_cell_angle_beta                 82.95(3)
_cell_angle_gamma                81.87(3)
_cell_formula_units_Z            1
_cell_length_a                   6.0870(12)
_cell_length_b                   7.8070(16)
_cell_length_c                   12.305(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     560.5(2)
_computing_cell_refinement       'KM-4 Software (Kuma, 1996)'
_computing_data_collection       'KM-4 Software (Kuma, 1996)'
_computing_data_reduction        'DATAPROC (Kuma, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Kuma KM-4 four-circle'
_diffrn_measurement_method       'profile data from \w/2\q'
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3570
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        25.22
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.219
_exptl_absorpt_correction_T_max  0.46659
_exptl_absorpt_correction_T_min  0.09085
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.053
_refine_diff_density_max         1.592
_refine_diff_density_min         -2.752
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         3281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0739P)^2^+0.7284P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                2568
_reflns_number_total             3281
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5232.cif
_cod_data_source_block           I
_cod_database_code               2230410
_cod_database_fobs_code          2230410