Syntheses and Characterizations of Palladium-Based Molecular Triangle/Square Compounds and Hybrid Composites with Polyoxometalates
Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno; Inorganic Chemistry 46 (2007) 2563–2570; doi:10.1021/ic062156r

data_4307669
_publ_contact_author_address
;
Department of Applied Chemistry, School of Engineering,
The University of Tokyo,
7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
;
_publ_contact_author_email       tmizuno@mail.ecc.u-tokyo.ac.jp
_publ_contact_author_fax         +81-3-5841-7220
_publ_contact_author_name        'Noritaka Mizuno'
_publ_contact_author_phone       +81-3-5841-7272
_publ_section_title
;
Syntheses and Characterizations of Palladium-Based Molecular
Triangle/Square Compounds and Hybrid Composites with Polyoxometalates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2563
_journal_page_last               2570
_journal_paper_doi               10.1021/ic062156r
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C64 N16 O64 Pd4 W20'
_chemical_formula_weight         6119.4
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2006-08-08T16:58:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.012(7)
_cell_angle_beta                 92.822(10)
_cell_angle_gamma                90.383(8)
_cell_formula_units_Z            2
_cell_length_a                   18.790(2)
_cell_length_b                   20.633(3)
_cell_length_c                   22.388(4)
_cell_measurement_temperature    153(2)
_cell_volume                     8668(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.731
_diffrn_measured_fraction_theta_max 0.731
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            33355
_diffrn_reflns_theta_full        28.89
_diffrn_reflns_theta_max         28.89
_diffrn_reflns_theta_min         0.99
_exptl_absorpt_coefficient_mu    13.673
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    2.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5344
_platon_squeeze_details
;
;
_refine_diff_density_max         2.918
_refine_diff_density_min         -2.632
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.687
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         33355
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      0.687
_refine_ls_R_factor_gt           0.0975
_refine_ls_shift/su_max          0.055
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0911P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2935
_reflns_number_gt                4929
_reflns_number_total             33355
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062156rsi20061113_095645.cif
_cod_data_source_block           squeezed
_cod_database_code               4307669