Crystallography Open Database

Information card for entry 4324659

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Structure parameters

Formula	C25.5 H24 N3 O4.5 V
Calculated formula	C25.5 H24 N3 O4.5 V
Title of publication	o-Iminobenzosemiquinonate and o-Imino-p-methylbenzosemiquinonate Anion Radicals Coupled VO2+ Stabilization
Authors of publication	Amit Saha Roy; Pinaki Saha; Nirmal Das Adhikary; Prasanta Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2488 - 2500
a	8.0598 ± 0.0001 Å
b	15.1237 ± 0.0003 Å
c	19.2297 ± 0.0003 Å
α	90°
β	90.901 ± 0.001°
γ	90°
Cell volume	2343.7 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324659.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324659.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324659.cif
42864	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324659 via cif-deposit CGI script.	4324659.cif