Crystallography Open Database

Information card for entry 4305033

Preview

Coordinates	4305033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Br N5 O6 S2 V2
Calculated formula	C27 H24 Br N5 O6 S2 V2
Title of publication	Coordination Asymmetry in Divanadium(V) Compounds Containing a V2O3 Core: Synthesis, Characterization, and Redox Properties
Authors of publication	Pabitra Baran Chatterjee; Subhajit Bhattacharya; Anandalok Audhya; Ki-Young Choi; Akira Endo; Muktimoy Chaudhury
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4891 - 4902
a	11.1599 ± 0.0006 Å
b	11.5448 ± 0.0007 Å
c	14.1841 ± 0.0008 Å
α	81.39 ± 0.001°
β	67.001 ± 0.001°
γ	63.181 ± 0.001°
Cell volume	1500.47 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179088 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/50.	4305033.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305033.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305033.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4305033.cif