Crystallography Open Database

Information card for entry 1512482

Preview

Coordinates	1512482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 N6 O8 S V2
Calculated formula	C40 H54 N6 O8 S V2
SMILES	[V]123(O[V]4(O1)(=O)(OS(=O)(=O)O2)[n]1ccc(cc1c1[n]4ccc(c1)C(C)(C)C)C(C)(C)C)(=O)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.N#CC.N#CC
Title of publication	New sulfate-bridged dinuclear oxidovanadium complexes
Authors of publication	Evgenia S. Bazhinaa; Marina E. Nikiforova; Grigory G. Aleksandrov; Nikolay N. Efimov; Helena A. Ugolkova; Oleg M. Nikitin; Tatiana V. Magdesieva; Artem S. Bogomyakov; Vadim V. Minin; Aleksei A. Sidorov; Vladimir M. Novotortsev; Igor L. Eremenko
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	192 - 198
a	11.5135 ± 0.0011 Å
b	14.5163 ± 0.0014 Å
c	15.2416 ± 0.0015 Å
α	115.275 ± 0.001°
β	91.836 ± 0.002°
γ	92.638 ± 0.001°
Cell volume	2297.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512482.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512482.cif
89411	2013-10-24	cif/ Adding structures of 1512482 via cif-deposit CGI script.	1512482.cif