Synthesis and Characterization of Electron Donor-Acceptor Platinum(II) Complexes Composed of N,N-Diphenylpyridineamine and Triphenylamine Ligands.
Dai, Zhi; Metta-Magaña, Alejandro J; Nuñez, Jose E; Inorganic chemistry 53 (2014) 7188–7196; doi:10.1021/ic500290m

data_4340129
_publ_section_title
;
 Synthesis and Characterization of Electron Donor-Acceptor Platinum(II)
 Complexes Composed of N,N-Diphenylpyridineamine and Triphenylamine
 Ligands.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7188
_journal_page_last               7196
_journal_paper_doi               10.1021/ic500290m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C38 H49 Ag Cl2 N6 O6 P2 Pt S'
_chemical_formula_weight         1153.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
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_cell_angle_beta                 108.4830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3447(9)
_cell_length_b                   19.6649(12)
_cell_length_c                   17.7267(11)
_cell_measurement_temperature    296(2)
_cell_volume                     4411.9(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0738
_diffrn_reflns_av_unetI/netI     0.0675
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            50534
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.397
_diffrn_reflns_theta_min         1.594
_exptl_absorpt_coefficient_mu    3.903
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_F_000             2288
_refine_diff_density_max         1.770
_refine_diff_density_min         -1.775
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         10985
_refine_ls_number_restraints     165
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.8959P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1472
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7903
_reflns_number_total             10985
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic500290m_si_003.cif
_cod_data_source_block           660NN2_0mS
_cod_depositor_comments
'Adding full bibliography for 4340129--4340130.cif.'
_cod_database_code               4340129
_shelxl_version_number           2013-2
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