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_4333087
_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 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2006-07-19T12:15:51-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 114.7990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.2009(4)
_cell_length_b                   22.8865(8)
_cell_length_c                   14.8558(5)
_cell_measurement_temperature    153(2)
_cell_volume                     4383.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11712
_diffrn_reflns_theta_full        29.17
_diffrn_reflns_theta_max         29.17
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    16.152
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    2.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3028
_platon_squeeze_details
;
;
_refine_diff_density_max         2.246
_refine_diff_density_min         -3.635
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         11712
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.866
_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1273P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2223
_reflns_number_gt                5100
_reflns_number_total             11712
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061393rsup2.cif
_cod_data_source_block           solvent-free
_cod_database_code               4333087