Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.
Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4157–4160; doi:10.1039/c7dt00091j

data_7042143
_publ_section_title
;
 Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting
 materials.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4157
_journal_page_last               4160
_journal_paper_doi               10.1039/c7dt00091j
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'H76 La3 O100 P2 Ta3 W15'
_chemical_formula_weight         5455.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-02-11 deposited with the CCDC.
2017-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_volume                     4319.71(17)
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_computing_molecular_graphics    Diamond
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_diffrn_detector_area_resol_mean '100x100 microns'
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
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_diffrn_reflns_number            35702
_diffrn_reflns_point_group_measured_fraction_full 0.997
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'SADABS 2016/2 (Bruker, 2016) was used for absorption correction. R(int) was 0.1872 before and 0.0842 after correction. The Ratio of minimum to maximum transmission is 0.0522. The \l/2 correction factor is 0.0015.'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       plate
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2270
_refine_ls_wR_factor_ref         0.2539
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6253
_reflns_number_total             7841
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt00091j2.cif
_cod_data_source_block           111333
_cod_depositor_comments
'Adding full bibliography for 7042142--7042145.cif.'
_cod_database_code               7042143
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.033
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