Crystallography Open Database

Information card for entry 6000499

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Coordinates	6000499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H33 N9 O22 V9
Calculated formula	C45 H33 N9 O22 V9
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	23.7735 ± 0.0016 Å
b	9.4309 ± 0.0006 Å
c	25.3804 ± 0.0017 Å
α	90°
β	112.047 ± 0.001°
γ	90°
Cell volume	5274.3 ± 0.6 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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