Heteropolynuclear Complexes of 3,5-Dimethylpyrazolate [Pt2M4(Me2pz)8] (M = Ag, Cu). Highly Luminescent Character of the Triplet Excited State Based on Mixed-Metal Cores
Keisuke Umakoshi; Takashi Kojima; Keizo Saito; Seiji Akatsu; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshiki Ozawa; Inorganic Chemistry 47 (2008) 5033–5035; doi:10.1021/ic702310t

data_4304742
_publ_contact_author_address
;
     Department of Applied Chemistry
 Faculty 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
;
Heteropolynuclear Complexes of 3,5-Dimethylpyrazolate [Pt2M4(Me2pz)8] (M =
Ag, Cu). Highly Luminescent Character of the Triplet Excited State Based on
Mixed-Metal Cores
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5033
_journal_page_last               5035
_journal_paper_doi               10.1021/ic702310t
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C20 H30 N8 Pt'
_chemical_formula_sum            'C20 H30 N8 Pt'
_chemical_formula_weight         577.60
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.3796(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.285(1)
_cell_length_b                   15.753(2)
_cell_length_c                   17.4782(3)
_cell_measurement_reflns_used    11781
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4681.3(7)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9675
_diffrn_measured_fraction_theta_max 0.9675
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20081
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    5.993
_exptl_absorpt_correction_T_max  0.166
_exptl_absorpt_correction_T_min  0.111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.76
_refine_diff_density_min         -2.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     270
_refine_ls_number_reflns         5204
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.0076
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0694
_reflns_number_gt                4407
_reflns_number_total             5204
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic702310t-file003_2.cif
_cod_data_source_block           Pt2dmpz4dmpzH4
_cod_depositor_comments
;

2021-12-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        4681.2(5)
_cod_original_formula_moiety     'C40 H60 N16 Pt2 '
_cod_original_formula_sum        'C40 H60 N16 Pt2 '
_cod_original_formula_units_Z    4
_cod_original_formula_weight     1155.20
_cod_database_code               4304742