(2,2'-Bipyridine-5,5'-dicarboxylic acid)tetrachloroplatinum(IV) monohydrate
Hafizovic, Jasmina; Oslbye, Unni; Lillerud, Karl Petter; Acta Crystallographica Section E 62 (2006) m414–m416; doi:10.1107/S1600536806003412

data_2208425
_publ_section_title
;
 (2,2'-Bipyridine-5,5'-dicarboxylic acid)tetrachloroplatinum(IV)
 monohydrate
;
_journal_coeditor_code           SG6061
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m414
_journal_page_last               m416
_journal_paper_doi               10.1107/S1600536806003412
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pt Cl4 (C12 H8 N2 O4)], H2 O'
_chemical_formula_moiety         'C12 H8 Cl4 N2 O4 Pt, H2 O'
_chemical_formula_sum            'C12 H10 Cl4 N2 O5 Pt'
_chemical_formula_weight         599.11
_chemical_name_systematic
;
(2,2'-Bipyridine-5,5'-dicarboxylic acid)tetrachloroplatinum(IV) monohydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 113.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.905(3)
_cell_length_b                   8.9969(18)
_cell_length_c                   12.512(3)
_cell_measurement_reflns_used    5858
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.66
_cell_volume                     1646.6(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \w
_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  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10397
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.66
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.196
_exptl_absorpt_correction_T_max  0.6563
_exptl_absorpt_correction_T_min  0.2314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cube
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.530
_refine_diff_density_min         -1.444
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3903
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0282P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                3318
_reflns_number_total             3903
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg6061.cif
_cod_data_source_block           I
_cod_original_cell_volume        1646.6(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2208425
_cod_database_fobs_code          2208425