Ce(iii)-Containing tungstotellurate(vi) with a sandwich structure: an efficient Lewis acid‒base catalyst for the condensation cyclization of 1,3-diketones with hydrazines/hydrazides or diamines
Yang, Guo-Ping; Shang, Shu-Xia; Yu, Bing; Hu, Chang-Wen; Inorganic Chemistry Frontiers 5 (2018) 2472–; doi:10.1039/C8QI00678D

data_4349881
_publ_section_title
;
 Ce(iii)-Containing tungstotellurate(vi) with a sandwich structure: an
 efficient Lewis acid--base catalyst for the condensation cyclization of
 1,3-diketones with hydrazines/hydrazides or diamines
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              2472
_journal_paper_doi               10.1039/C8QI00678D
_journal_volume                  5
_journal_year                    2018
_chemical_formula_sum            'C24 H204 Ce2 N12 Na2 O181 Te2 W37'
_chemical_formula_weight         10941.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-07-10 deposited with the CCDC.
2018-08-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.8370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   43.0872(19)
_cell_length_b                   21.8624(9)
_cell_length_c                   26.6715(10)
_cell_measurement_reflns_used    9295
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      2.80
_cell_volume                     22800.4(16)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX 2 DUO'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1135
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            255167
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.222
_diffrn_reflns_theta_min         2.322
_exptl_absorpt_coefficient_mu    19.324
_exptl_absorpt_correction_T_max  0.055
_exptl_absorpt_correction_T_min  0.014
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.188
_exptl_crystal_description       block
_exptl_crystal_F_000             19440
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.150
_refine_diff_density_max         3.438
_refine_diff_density_min         -2.340
_refine_diff_density_rms         0.378
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     961
_refine_ls_number_reflns         25345
_refine_ls_number_restraints     1957
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+1041.5531P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19099
_reflns_number_total             25345
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8qi00678d2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4349881
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.090
_shelx_estimated_absorpt_t_max   0.160
_shelx_res_checksum              12249
_shelx_hkl_checksum              29266