Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.
Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 6672–6674; doi:10.1039/c8dt00715b

data_7045986
_publ_section_title
;
 Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6672
_journal_page_last               6674
_journal_paper_doi               10.1039/c8dt00715b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C18 H93 Ge3 N18 Ni3 O54 Sb3 V15'
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_space_group_name_Hall           'P 2yb'
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_symmetry_space_group_name_Hall  'P 2yb'
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_atom_sites_solution_hydrogens   geom
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;
2018-03-16 deposited with the CCDC.
2018-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
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;
XP in SHELXTL (Sheldrick, 2008) and Diamond (Brandenburg, 1999)
;
_computing_publication_material  'publCIF (Westrip, 2010)'
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_diffrn_measurement_method       'Omega scans'
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.121(19)
_refine_ls_extinction_coef       0.00087(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     15
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_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0580P)^2^+22.7451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1181
_reflns_Friedel_coverage         0.942
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                16811
_reflns_number_total             17911
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Compound3
_cod_depositor_comments
'Adding full bibliography for 7045984--7045986.cif.'
_cod_database_code               7045986
_shelxl_version_number           2014-3
_shelx_res_checksum              54381