Crystallography Open Database

Information card for entry 4324660

Preview

Coordinates	4324660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H43 N9 O7 V2
Calculated formula	C51 H34 N9 O7 V2
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	13.0735 ± 0.0009 Å
b	13.0842 ± 0.0009 Å
c	14.3558 ± 0.0018 Å
α	97.372 ± 0.002°
β	97.313 ± 0.002°
γ	111.245 ± 0.001°
Cell volume	2229.4 ± 0.4 Å³
Cell temperature	293 ± 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	0.0658
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179349 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46.	4324660.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324660.cif
42865	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324660 via cif-deposit CGI script.	4324660.cif