A highly negatively charged Y-Keggin germanodecatungstate efficient for Knoevenagel condensation
Kosei Sugahara; Toshihiro Kimura; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno; Chem.Commun. 48 (2012) 8422–8424; doi:10.1039/c2cc33839d

data_7108166
_publ_section_title
;
 A highly negatively charged Y-Keggin germanodecatungstate efficient for
 Knoevenagel condensation
;
_journal_issue                   67
_journal_name_full               Chem.Commun.
_journal_page_first              8422
_journal_page_last               8424
_journal_paper_doi               10.1039/c2cc33839d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C102 Ge1 N9 O36 W10'
_chemical_formula_sum            'C102 Ge N9 O36 W10'
_chemical_formula_weight         3838.2
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             2011-11-05T14:32:57-00:00
_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                   17.74710(10)
_cell_length_b                   31.6276(2)
_cell_length_c                   48.1971(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     27052.9(3)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       66
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            37849
_diffrn_reflns_theta_full        29.59
_diffrn_reflns_theta_max         29.59
_diffrn_reflns_theta_min         0.84
_exptl_absorpt_coefficient_mu    8.75
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.885
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             13880
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.22
_refine_diff_density_min         -4.827
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.271
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1048
_refine_ls_number_reflns         37849
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.27
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0764P)^2^+1339.8663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2543
_reflns_number_gt                33132
_reflns_number_total             37849
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc33839d.txt
_cod_data_source_block           shelxl
_cod_database_code               7108166