Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.
An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun; Dalton transactions (Cambridge, England : 2003) 47 (2018) 9079–9089; doi:10.1039/c8dt00389k

data_7046597
_publ_section_title
;
 Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal =
 Ti, Ln) for cyanosilylation catalysis.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9079
_journal_page_last               9089
_journal_paper_doi               10.1039/c8dt00389k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C24 H62 K N4 Nd2 O69 P Ti2 W10'
_chemical_formula_weight         3803.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-06-07 deposited with the CCDC.
2018-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_max      25.00
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_computing_data_collection       'Bruker SMART'
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_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1022
_diffrn_reflns_av_unetI/netI     0.1214
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.992
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_diffrn_reflns_limit_k_max       35
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_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18523
_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.992
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_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.449
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.086
_exptl_absorpt_correction_T_min  0.021
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_exptl_absorpt_process_details   'SADABS; Sheldrick, 1996'
_exptl_crystal_colour            'light purple'
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_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0361P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1419
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4931
_reflns_number_total             6503
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7046596--7046601.cif.'
_cod_database_code               7046597
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