Crystallography Open Database

Information card for entry 7058430

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Coordinates	7058430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H0 Nb3.68 O238 P8 W48
Calculated formula	Nb3.68 O238 P8 W48
Title of publication	Niobium uptake by a [P8W48O184]40− macrocyclic polyanion
Authors of publication	Shmakova, Alexandra A.; Volchek, Victoria V.; Yanshole, Vadim; Kompankov, Nikolay B.; Martin, Nicolas P.; Nyman, May; Abramov, Pavel A.; Sokolov, Maxim N.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	25
Pages of publication	9943
a	25.6122 ± 0.0005 Å
b	25.6122 ± 0.0005 Å
c	22.0939 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	14493.3 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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