The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.
Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De; Dalton transactions (Cambridge, England : 2003) 40 (2011) 779–781; doi:10.1039/c0dt01254h

data_7014894
_publ_section_title
;
 The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral
 metal sites in catalytic oxidative cyclization of acetylacetone.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              779
_journal_page_last               781
_journal_paper_doi               10.1039/c0dt01254h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'Co4 H104 K2 O121 V2 W19 Zn3'
_chemical_formula_weight         6145.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.935(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.2388(9)
_cell_length_b                   14.6184(5)
_cell_length_c                   21.7787(7)
_cell_measurement_reflns_used    33261
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      3.47
_cell_volume                     10208.8(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33261
_diffrn_reflns_theta_full        26.45
_diffrn_reflns_theta_max         26.45
_diffrn_reflns_theta_min         3.47
_exptl_absorpt_coefficient_mu    23.020
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19687
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             11040
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         4.030
_refine_diff_density_min         -1.930
_refine_diff_density_rms         0.623
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         10379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.222
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0667
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0789P)^2^+187.3980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1608
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                7868
_reflns_number_total             10379
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01254H.TXT
_cod_data_source_block           New2
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'H104 Co4 K2 O121 V2 W19 Zn3'
_cod_database_code               7014894