Crystal structure of cis-bis[2-(diphenylphosphinoaminato)-4-methylpyridine] platinum(II), Pt(C~18~H~16~N~2~P)~2~
Schmalz, T.; Karthikeyan, S.; Irrgang, T.; Kempe, R.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 95–96; doi:

data_8101938
_publ_section_title
;
Crystal structure of cis-bis[2-(diphenylphosphinoaminato)-4-methylpyridine]
platinum(II), Pt(C~18~H~16~N~2~P)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              95
_journal_page_last               96
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'C36 H32 N4 P2 Pt'
_chemical_formula_weight         777.70
_chemical_name_systematic
;
cis-bis[2-(diphenylphosphinoaminato)-4-methylpyridine]platinum(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 118.038(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   22.1830(13)
_cell_length_b                   10.4130(6)
_cell_length_c                   15.2670(9)
_cell_measurement_reflns_used    20202
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      52.22
_cell_measurement_theta_min      3.02
_cell_volume                     3112.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0898
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20202
_diffrn_reflns_theta_full        25.73
_diffrn_reflns_theta_max         25.73
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    4.643
_exptl_absorpt_correction_T_max  0.5689
_exptl_absorpt_correction_T_min  0.2518
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.139
_refine_diff_density_min         -0.784
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.777
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         2942
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.777
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0775P)^2^+0.6481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0693
_reflns_number_gt                2830
_reflns_number_total             2942
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1734.cff
_cod_data_source_block           k219ma
_cod_original_sg_symbol_H-M      C12/c1
_cod_database_code               8101938