Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate
Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi; Inorganic Chemistry 51 (2012) 7977–7992; doi:10.1021/ic202663q

data_4329788
_publ_contact_author_address
;
        Division of Chemistry and Materials Science
    Graduate School of Engineering
    Nagasaki University
    Bunkyo-machi, Nagasaki 852-8521
    Japan
;
_publ_contact_author_email       ' kumks@nagasaki-u.ac.jp '
_publ_contact_author_fax         ' +81-95-819-2672 '
_publ_contact_author_name        ' Prof. Keisuke Umakoshi '
_publ_contact_author_phone       ' +81-95-819-2672 '
_publ_section_title
;
 Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged
 Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands
 on the Emission Energy Revealed by the Systematic Replacement of Chloride
 Ligands by 3,5-Dimethylpyrazolate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7977
_journal_page_last               7992
_journal_paper_doi               10.1021/ic202663q
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C94 H74 Cl2 Cu2 N14 Pt2'
_chemical_formula_sum            'C94 H74 Cl2 Cu2 N14 Pt2'
_chemical_formula_weight         1987.89
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.3146(5)
_cell_length_b                   22.6251(5)
_cell_length_c                   19.7815(5)
_cell_measurement_reflns_used    15351
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.03
_cell_volume                     8196.9(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_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      296
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58362
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.023
_exptl_absorpt_correction_T_max  0.299
_exptl_absorpt_correction_T_min  0.197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_description       prism
_exptl_crystal_F_000             3936.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.870
_refine_diff_density_min         -0.690
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.214
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     515
_refine_ls_number_reflns         9141
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0319P)^2^+17.8831P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                8940
_reflns_number_total             9141
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic202663q_si_002_5.cif
_cod_data_source_block           '[Pt2Cu2Cl2(dppz)4(dppzH)2]'
_cod_database_code               4329788