Chlorido{<i>N</i>^2^,<i>N</i>^6^-dibenzyl-<i>N</i>^2^,<i>N</i>^6^-bis[(diphenylphosphanyl)methyl]pyridine-2,6-diamine}methylplatinum(II)
Wang, Zi-Jia; Wang, Xiao-Xi; Wan, Chong-Qing; Acta Crystallographica Section E 66 (2010) m1341–m1342; doi:10.1107/S1600536810038134

data_2227182
_publ_section_title
;
 Chlorido{<i>N</i>^2^,<i>N</i>^6^-dibenzyl-<i>N</i>^2^,<i>N</i>^6^-bis[(diphenylphosphanyl)methyl]pyridine-2,6-diamine}methylplatinum(II)
;
_journal_coeditor_code           BQ2234
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1341
_journal_page_last               m1342
_journal_paper_doi               10.1107/S1600536810038134
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pt (C H3) Cl (C45 H41 N3 P2)]'
_chemical_formula_moiety         'C46 H44 Cl N3 P2 Pt'
_chemical_formula_sum            'C46 H44 Cl N3 P2 Pt'
_chemical_formula_weight         931.32
_chemical_name_systematic
;
Chlorido{<i>N</i>^2^,<i>N</i>^6^-dibenzyl-<i>N</i>^2^,<i>N</i>^6^-\
bis[(diphenylphosphanyl)methyl]pyridine-2,6-diamine}methylplatinum(II)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3515(9)
_cell_length_b                   15.9294(10)
_cell_length_c                   16.5197(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4039.7(4)
_computing_cell_refinement
'<i>APEX2</i> and <i>SAINT</i> (Bruker, 2007)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2007)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_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  'Bruker APEXII CCD area-detector'
_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  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21886
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    3.655
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.640173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.383
_refine_ls_abs_structure_details 'Flack (1983), <b>3125 Friedel pairs</b>'
_refine_ls_abs_structure_Flack   -0.010(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         7108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^] P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                6498
_reflns_number_total             7108
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bq2234.cif
_cod_data_source_block           I
_cod_database_code               2227182
_cod_database_fobs_code          2227182