2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption
Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka; Inorganic Chemistry 45 (2006) 9448–9453; doi:10.1021/ic061393r

data_4333088
_publ_section_title
;
 2D-Grid Layered Pd-Based Cationic Infinite Coordination
 Polymer/Polyoxometalate Crystal with Hydrophilic Sorption
;
_journal_issue                   23
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9448
_journal_page_last               9453
_journal_paper_doi               10.1021/ic061393r
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4 N4 O44 Pd2 Si W12'
_chemical_formula_weight         3255.17
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             2006-07-19T10:55:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.3674(2)
_cell_length_b                   23.7360(3)
_cell_length_c                   25.0897(3)
_cell_measurement_temperature    93(2)
_cell_volume                     9747.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12377
_diffrn_reflns_theta_full        28.54
_diffrn_reflns_theta_max         28.54
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    29.037
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    4.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             11184
_platon_squeeze_details
;
;
_refine_diff_density_max         14.965
_refine_diff_density_min         -5.374
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         12377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_gt           0.063
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1228P)^2^+398.8865P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1955
_reflns_number_gt                10101
_reflns_number_total             12377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061393rsup3.cif
_cod_data_source_block           squeezed
_cod_database_code               4333088