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_7108167
_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         'C16 Ge N4 O44 W10'
_chemical_formula_sum            'C16 Ge N4 O44 W10'
_chemical_formula_weight         2863.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.8480
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.62520(10)
_cell_length_b                   22.3313(2)
_cell_length_c                   21.6699(2)
_cell_measurement_temperature    153
_cell_volume                     5622.71(9)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            15611
_diffrn_reflns_theta_full        29.60
_diffrn_reflns_theta_max         29.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    21.015
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4992.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.690
_refine_diff_density_min         -5.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.539
_refine_ls_number_parameters     676
_refine_ls_number_reflns         15611
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1829
_reflns_number_gt                14389
_reflns_number_total             15611
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2cc33839d.txt
_cod_data_source_block           Template
_cod_database_code               7108167