(Acetato-κ<i>O</i>)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')trimethylplatinum(IV) monohydrate
Vetter, Cornelia; Wagner, Christoph; Steinborn, Dirk; Acta Crystallographica Section E 66 (2010) m286–; doi:10.1107/S160053681000499X

data_2225388
_publ_section_title
;(Acetato-\k<i>O</i>)(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')trimethylplatinum(IV)
 monohydrate
;
_journal_coeditor_code           TK2621
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m286
_journal_paper_doi               10.1107/S160053681000499X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pt (C H3)3 (C2 H3 O2) (C10 H8 N2)] , H2 O'
_chemical_formula_moiety         'C15 H20 N2 O2 Pt , H2 O'
_chemical_formula_sum            'C15 H22 N2 O3 Pt'
_chemical_formula_weight         473.44
_chemical_name_systematic
;
(Acetato-\k<i>O</i>)(2,2'-bipyridine-\
\k^2^<i>N</i>,<i>N</i>')trimethylplatinum(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 125.05(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.972(3)
_cell_length_b                   13.455(3)
_cell_length_c                   13.768(3)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      15.1
_cell_volume                     1663.9(9)
_computing_cell_refinement       'STADI4 (Stoe & Cie, 1996)'
_computing_data_collection       'STADI4 (Stoe & Cie, 1996)'
_computing_data_reduction        'STADI4 (Stoe & Cie, 1996)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe STADI-IV'
_diffrn_measurement_method       \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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4494
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        'random, +-5'
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    8.444
_exptl_absorpt_correction_T_max  0.089
_exptl_absorpt_correction_T_min  0.031
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.611
_refine_diff_density_min         -1.787
_refine_ls_extinction_coef       0.0018(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2931
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0403
_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^)+(0.0676P)^2^+4.3682P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1185
_reflns_number_gt                2455
_reflns_number_total             2931
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2621.cif
_cod_data_source_block           I
_cod_original_cell_volume        1663.9(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225388
_cod_database_fobs_code          2225388