Crystallography Open Database

Information card for entry 1515761

Preview

Coordinates	1515761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H128 O23 V6
Calculated formula	C70 H128 O23 V6
Title of publication	Low-valent vanadium catecholate clusters
Authors of publication	Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.
Journal of publication	Chemical Science
Year of publication	2010
Journal volume	1
Journal issue	2
Pages of publication	221
a	11.232 ± 0.002 Å
b	13.693 ± 0.003 Å
c	14.106 ± 0.003 Å
α	96.27 ± 0.03°
β	91.4 ± 0.03°
γ	90.45 ± 0.03°
Cell volume	2155.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.7977 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	1515761.cif
112247	2014-04-30	cif/ Adding structures of 1515761, 1515762, 1515763, 1515764, 1515765 via cif-deposit CGI script.	1515761.cif