Dichloro{<i>N</i>-(diphenylphosphino)-<i>N</i>-[(diphenylphosphoryl)methyl]pyridin-2-amine-κ^2^<i>N</i>,<i>N</i>'}platinum(II)
Peng Li; Qing-Shan Li; Feng-Bo Xu; Hai-Bin Song; Zheng-Zhi Zhang; Acta Crystallographica Section E 62 (2006) m1575–m1576; doi:10.1107/S1600536806022148

data_2209547
_publ_section_title
Dichloro{<i>N</i>-(diphenylphosphino)-<i>N</i>-[(diphenylphosphoryl)methyl]pyridin-2-amine-\k^2^<i>N</i>,<i>N</i>'}platinum(II)
_journal_coeditor_code           HK2056
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1575
_journal_page_last               m1576
_journal_paper_doi               10.1107/S1600536806022148
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pt Cl2 (C30 H26 N2 O P2)]'
_chemical_formula_moiety         'C30 H26 Cl2 N2 O P2 Pt'
_chemical_formula_sum            'C30 H26 Cl2 N2 O P2 Pt'
_chemical_formula_weight         758.46
_chemical_name_systematic
;
Dichloro{N-(diphenylphosphino)-N-[(diphenylphosphoryl)methyl]pyridin-2-amine-
\k^2^N,N'}platinum(II)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 91.789(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3946(9)
_cell_length_b                   11.4865(12)
_cell_length_c                   15.0673(17)
_cell_measurement_reflns_used    4826
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.30
_cell_measurement_theta_min      2.43
_cell_volume                     1452.1(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART 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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8226
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    5.152
_exptl_absorpt_correction_T_max  0.600
_exptl_absorpt_correction_T_min  0.332
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       monoclinic
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.674
_refine_ls_abs_structure_details 'Flack (1983), with 1107 Friedel pairs'
_refine_ls_abs_structure_Flack   0.000(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4221
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0249
_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^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0510
_reflns_number_gt                3839
_reflns_number_total             4221
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2056.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2209547
_cod_database_fobs_code          2209547