Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands
Chernyshev, Alexander N.; Kukushkin, Vadim Yu.; Haukka, Matti; Acta Crystallographica Section C 70 (2014) –; doi:10.1107/S2053229614021548

data_2019724
_publ_section_title
;
 Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and
 2,2'-dipyridylaminide ligands
;
_journal_coeditor_code           DT3029
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229614021548
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Pt Cl4 (C10 H9 N3)]'
_chemical_formula_moiety         'C10 H9 Cl4 N3 Pt'
_chemical_formula_sum            'C10 H9 Cl4 N3 Pt'
_chemical_formula_weight         508.09
_chemical_name_systematic
;
[bis(pyridin-2-yl-\k<i>N</i>)amine]tetrachloridoplatinum(IV)
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5599(4)
_cell_length_b                   13.9247(7)
_cell_length_c                   12.2049(5)
_cell_measurement_reflns_used    3819
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.03
_cell_measurement_theta_min      1.00
_cell_volume                     1284.80(11)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  'SHELXL2014 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2014 (Sheldrick, 2008)'
_computing_structure_solution    'SUPERFLIP (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD area-detector'
_diffrn_measurement_method       '\f scans, and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10671
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.464
_diffrn_reflns_theta_min         3.170
_exptl_absorpt_coefficient_mu    11.735
_exptl_absorpt_correction_T_max  0.4326
_exptl_absorpt_correction_T_min  0.3273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.627
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.427
_refine_diff_density_min         -1.419
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0166P)^2^+7.8844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0561
_reflns_number_gt                1370
_reflns_number_total             1527
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dt3029sup1.cif
_cod_data_source_block           I
_cod_database_code               2019724
_shelx_estimated_absorpt_t_min   0.454
_shelx_estimated_absorpt_t_max   0.591
_shelx_hkl_checksum              11916
_shelx_res_checksum              56435
_shelxl_version_number           2.014