Dichlorido[2-diphenylphosphanyl-<i>N</i>-(pyridin-3-ylmethyl)benzylidenamine-κ^2^<i>P</i>,<i>N</i>]platinum(II)
Chiririwa, Haleden; Meijboom, Reinout; Acta Crystallographica Section E 67 (2011) m1497–; doi:10.1107/S1600536811040086

data_2232255
_publ_section_title
;
 Dichlorido[2-diphenylphosphanyl-<i>N</i>-(pyridin-3-ylmethyl)benzylidenamine-\k^2^<i>P</i>,<i>N</i>]platinum(II)
;
_journal_coeditor_code           GO2028
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1497
_journal_paper_doi               10.1107/S1600536811040086
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt Cl2 (C25 H21 N2 P)]'
_chemical_formula_moiety         'C25 H21 Cl2 N2 P Pt'
_chemical_formula_sum            'C25 H21 Cl2 N2 P Pt'
_chemical_formula_weight         646.40
_chemical_name_systematic
;
Dichlorido[2-diphenylphosphanyl-<i>N</i>-(pyridin-3-ylmethyl)benzylidenamine-
\k^2^<i>P</i>,<i>N</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           SHELXL-97
_cell_angle_alpha                97.687(5)
_cell_angle_beta                 98.363(5)
_cell_angle_gamma                114.499(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9684(14)
_cell_length_b                   10.4129(15)
_cell_length_c                   12.526(3)
_cell_measurement_reflns_used    16090
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      2.20
_cell_volume                     1143.0(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Kappa DUO APEXII'
_diffrn_measurement_method       '0.5\% \f scans 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  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16090
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         2.20
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.457
_exptl_absorpt_correction_T_max  0.8023
_exptl_absorpt_correction_T_min  0.6707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.869
_refine_diff_density_min         -1.024
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4994
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0324
_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^)+(0.0217P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0578
_refine_ls_wR_factor_ref         0.0621
_reflns_number_gt                4177
_reflns_number_total             4994
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            go2028.cif
_cod_data_source_block           I
_cod_original_cell_volume        1143.1(4)
_cod_database_code               2232255
_cod_database_fobs_code          2232255