<i>cis</i>-(Malonato-κ^2^<i>O</i>,<i>O</i>')bis(2-methylpyridine-κ<i>N</i>)platinum(II)
Ming-Jin Xie; Yao Yu; Wei-Ping Liu; Shu-Qian Hou; Xi-Zhu Chen; Acta Crystallographica Section E 63 (2007) m2627–m2627; doi:10.1107/S1600536807047034

data_2215605
_publ_section_title
<i>cis</i>-(Malonato-\k^2^<i>O</i>,<i>O</i>')bis(2-methylpyridine-\k<i>N</i>)platinum(II)
_journal_coeditor_code           NC2058
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2627
_journal_page_last               m2627
_journal_paper_doi               10.1107/S1600536807047034
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt (C3 H2 O4) (C6 H7 N)2]'
_chemical_formula_moiety         'C15 H16 N2 O4 Pt'
_chemical_formula_sum            'C15 H16 N2 O4 Pt'
_chemical_formula_weight         483.39
_chemical_name_systematic
;
cis-(Malonato-\k^2^O,O')bis(2-methylpyridine-\kN)platinum(II)
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 107.7480(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5790(6)
_cell_length_b                   15.8079(11)
_cell_length_c                   11.5595(8)
_cell_measurement_reflns_used    3532
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.25
_cell_volume                     1493.04(18)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12687
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         2.25
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.417
_exptl_absorpt_correction_T_max  0.235
_exptl_absorpt_correction_T_min  0.141
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(APEX2; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.150
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.756
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     201
_refine_ls_number_reflns         3532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0206
_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^)+(0.0222P)^2^+0.6402P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0458
_reflns_number_gt                3007
_reflns_number_total             3532
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            nc2058.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P2 1/n'
_cod_database_code               2215605
_cod_database_fobs_code          2215605