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_4333086
_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            'C24 N8 O40 Pd2 Si W12'
_chemical_formula_weight         3487.41
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2006-07-19T11:28:08-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 106.3580(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.0188(3)
_cell_length_b                   15.6962(3)
_cell_length_c                   26.9793(6)
_cell_measurement_temperature    93(2)
_cell_volume                     6102.6(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            15830
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    11.6
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3028
_platon_squeeze_details
;
;
_refine_diff_density_max         1.882
_refine_diff_density_min         -2.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.852
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         15830
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.852
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1134P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1991
_reflns_number_gt                6397
_reflns_number_total             15830
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061393rsup1.cif
_cod_data_source_block           squeezed
_cod_database_code               4333086