Crystallography Open Database

Information card for entry 2013054

2013053 << 2013054 >> 2013055

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Coordinates	2013054.cif
Structure factors	2013054.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Decatungstodysprosate
Chemical name	Nonasodium decatungstodysprosate pentatriacontahydrate
Formula	Dy H70 Na9 O71 W10
Calculated formula	Dy Na9 O71 W10
SMILES	[W]1234(=O)O[W]567(=O)O[W]89%10(=O)O[W]%11(=O)(O1)(O[W](=O)(O2)(O5)(O8)[O]47%10%11)=[O][Dy]124([O]=3)([O]=6)([O]=9)[O]=[W]356(=O)O[W]78(=O)(O[W]9%10(=O)(O[W]%11(=O)(O3)(O[W](=O)(O5)(O7)(O9)[O]68%10%11)=[O]4)=[O]2)=[O]1.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Nonasodium decatungstodysprosate pentatriacontahydrate
Authors of publication	Sawada, Keiju; Yamase, Toshihiro
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	11
Pages of publication	i149 - i151
a	13.0914 ± 0.0008 Å
b	20.5067 ± 0.0012 Å
c	12.7721 ± 0.0006 Å
α	105.519 ± 0.001°
β	91.231 ± 0.002°
γ	82.789 ± 0.002°
Cell volume	3277.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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