Crystallography Open Database

Information card for entry 4312417

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Coordinates	4312417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H65 Na6 O121 P3 V36
Calculated formula	H24 Na6 O121.08 P3 V36
Title of publication	Structure and Properties of a Novel 3D Straight-Channel Polyoxovanadate and an Unexpected Trimeric Barbiturate Obtained by Hydrothermal Reactions
Authors of publication	Wenbin Yang; Canzhong Lu; Quanzheng Zhang; Shumei Chen; Xiaoping Zhan; Jiuhui Liu
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	7309 - 7314
a	22.1978 ± 0.0015 Å
b	22.1978 ± 0.0015 Å
c	22.1978 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	10937.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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