Crystal structure of [2,6-difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II)
Park, Ki-Min; Lee, Jieun; Kang, Youngjin; Acta Crystallographica Section E 71 (2015) 354–356; doi:10.1107/S2056989015004375

data_2240496
_publ_section_title
;
 Crystal structure of
 [2,6-difluoro-3-(pyridin-2-yl-\k<i>N</i>)pyridin-4-yl-\k<i>C</i>^4^](pentane-2,4-dionato-\k^2^<i>O</i>,<i>O</i>')platinum(II)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              354
_journal_page_last               356
_journal_paper_doi               10.1107/S2056989015004375
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Pt (C10 H5 F2 N2) (C5 H7 O2)]'
_chemical_formula_moiety         'C15 H12 F2 N2 O2 Pt'
_chemical_formula_sum            'C15 H12 F2 N2 O2 Pt'
_chemical_formula_weight         485.36
_chemical_name_systematic
'[2,6-Difluoro-3-(pyridin-2-yl-\k<i>N</i>)pyridin-4-yl-\k<i>C</i>^4^](pentane-2,4-dionato-\k^2^<i>O</i>,<i>O</i>')platinum(II)'
_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           SHELXTL
_cell_angle_alpha                97.6830(10)
_cell_angle_beta                 112.3200(10)
_cell_angle_gamma                99.4100(10)
_cell_formula_units_Z            2
_cell_length_a                   8.0442(6)
_cell_length_b                   9.8711(7)
_cell_length_c                   10.1458(7)
_cell_measurement_reflns_used    2773
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.14
_cell_volume                     718.12(9)
_computing_cell_refinement
;
<i>SAINT</i> (Bruker, 2006)
;
_computing_data_collection
;
<i>APEX2</i> (Bruker, 2006)
;
_computing_data_reduction
;
<i>SAINT</i> (Bruker, 2006)
;
_computing_molecular_graphics
;
<i>SHELXTL</i> (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005)
;
_computing_publication_material
;
<i>SHELXTL</i> (Sheldrick, 2008)
;
_computing_structure_refinement
;
<i>SHELXL97</i> (Sheldrick, 2008)
;
_computing_structure_solution
;
<i>SHELXS97</i> (Sheldrick, 2008)
;
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7062
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    9.800
_exptl_absorpt_correction_T_max  0.3859
_exptl_absorpt_correction_T_min  0.1772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2006)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.514
_refine_diff_density_min         -1.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2810
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0174
_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^)+(0.0295P)^2^+1.5655P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0526
_reflns_number_gt                2773
_reflns_number_total             2810
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm5128sup1.cf
_cod_data_source_block           I
_cod_database_code               2240496
_cod_database_fobs_code          2240496