Synthesis, Crystal Structure, and Photochromism of Novel Two-Dimensional Supramolecular Networks Based on Keggin-Type Polyoxoanion and Lanthanide Coordination Cations
Hong Zhang; Liying Duan; Yang Lan; Enbo Wang; Changwen Hu; Inorganic Chemistry 42 (2003) 8053–8058; doi:10.1021/ic0343962

data_4312575
_publ_section_title
;
 Synthesis, Crystal Structure, and Photochromism of Novel Two-Dimensional
 Supramolecular Networks Based on Keggin-Type Polyoxoanion and Lanthanide
 Coordination Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8053
_journal_page_last               8058
_journal_paper_doi               10.1021/ic0343962
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C30 H68 Ce Ge Mo12 N6 O53'
_chemical_formula_weight         2724.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.19(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.313(4)
_cell_length_b                   18.316(4)
_cell_length_c                   23.039(5)
_cell_measurement_reflns_used    27476
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.36
_cell_measurement_theta_min      1.23
_cell_volume                     6979(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP diffractometer'
_diffrn_measurement_method       'Oscillation scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            27476
_diffrn_reflns_theta_full        27.36
_diffrn_reflns_theta_max         27.36
_diffrn_reflns_theta_min         1.23
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.250
_exptl_absorpt_correction_T_max  0.4209
_exptl_absorpt_correction_T_min  0.3502
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5232
_exptl_crystal_size_max          0.329
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.267
_refine_diff_density_max         3.793
_refine_diff_density_min         -1.798
_refine_diff_density_rms         0.441
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.226
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         15049
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.226
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0603P)^2^+87.7237P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1449
_reflns_number_gt                13308
_reflns_number_total             15049
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0343962si20030415_032244.cif
_cod_data_source_block           zh1
_cod_original_cell_volume        6979(2)
_cod_database_code               4312575