Crystallography Open Database

Information card for entry 4321188

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Coordinates	4321188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 N9 O21 V8
Calculated formula	C45 H33 N9 O21 V8
Title of publication	Structural Influences of Organonitrogen Ligands on Vanadium Oxide Solids. Hydrothermal Syntheses and Structures of the Terpyridine Vanadates [V2O4(Terpy)2]3[V10O28], [VO2(Terpy)][V4O10], and [V9O22(Terpy)3]
Authors of publication	Pamela J. Hagrman; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3252 - 3260
a	12.2071 ± 0.0007 Å
b	13.8855 ± 0.0008 Å
c	16.9832 ± 0.001 Å
α	69.584 ± 0.001°
β	71.204 ± 0.001°
γ	84.64 ± 0.001°
Cell volume	2553.4 ± 0.3 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0569
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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