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_7014893
_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            'H74 Mn4 O105 V2 W19 Zn3'
_chemical_formula_weight         5765.49
_chemical_name_systematic
;
?
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 73.969(2)
_cell_angle_gamma                63.604(3)
_cell_formula_units_Z            1
_cell_length_a                   12.5382(3)
_cell_length_b                   13.9382(4)
_cell_length_c                   16.7244(5)
_cell_measurement_reflns_used    18157
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      3.48
_cell_volume                     2515.66(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18157
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
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_exptl_absorpt_coefficient_mu    23.092
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.12165
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             2556
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.21
_refine_diff_density_max         5.927
_refine_diff_density_min         -2.713
_refine_diff_density_rms         0.795
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.332
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         10260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.332
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0967
_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^)+(0.0826P)^2^+159.3600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2451
_refine_ls_wR_factor_ref         0.2512
_reflns_number_gt                7633
_reflns_number_total             10260
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01254H.TXT
_cod_data_source_block           New1
_cod_original_cell_volume        2515.66(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014893