Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.
Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke; Dalton transactions (Cambridge, England : 2003) 45 (2016) 4978–4982; doi:10.1039/c6dt00320f

data_7038518
_publ_section_title
;
 Different structural preference of Ag(i) and Au(i) in neutral and
 cationic luminescent heteropolynuclear platinum(ii) complexes: Z
 (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4978
_journal_page_last               4982
_journal_paper_doi               10.1039/c6dt00320f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C44 H48 Ag2 Cl4 N10 Pt2'
_chemical_formula_sum            'C44 H48 Ag2 Cl4 N10 Pt2'
_chemical_formula_weight         1464.66
_chemical_name_systematic        '[Pt2Ag2(ppy)2(Me2pz)4]'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-11-25 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                114.5444(19)
_cell_angle_beta                 103.778(3)
_cell_angle_gamma                100.7253(17)
_cell_formula_units_Z            1
_cell_length_a                   9.481(2)
_cell_length_b                   11.831(3)
_cell_length_c                   12.311(4)
_cell_measurement_reflns_used    4422
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.05
_cell_volume                     1154.8(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14397
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.123
_exptl_absorpt_correction_T_max  0.277
_exptl_absorpt_correction_T_min  0.224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             700.00
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane/n-hexane'
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.690
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5272
_refine_ls_number_restraints     12
_refine_ls_R_factor_gt           0.0181
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0069P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0355
_reflns_number_gt                4738
_reflns_number_total             5272
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c6dt00320f2.cif
_cod_data_source_block           2a
_cod_depositor_comments
'Adding full bibliography for 7038518--7038524.cif.'
_cod_database_code               7038518