Crystallography Open Database

Information card for entry 4339662

Preview

Coordinates	4339662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 O16 V4
Calculated formula	C30 H46 O16 V4
SMILES	C1=C(C)O[V]23(=O)([O]=C1C)[O]1[V]456(OC(=CC(=[O]4)C)C)[O]42[V]278(OC(=CC(=[O]2)C)C)[O]2[V]9(OC(=CC(=[O]9)C)C)([O]57CC(C1)(C[O]38)C)([O]6CC(C2)(C4)C)=O
Title of publication	Synthesis, structural, and magnetic studies on a redox family of tetrametallic vanadium clusters: {VIV4}, {VIII2VIV2}, and {VIII4} butterfly complexes.
Authors of publication	Tidmarsh, Ian S.; Scales, Emma; Brearley, Paul R.; Wolowska, Joanna; Sorace, Lorenzo; Caneschi, Andrea; Laye, Rebecca H.; McInnes, Eric J. L.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9743 - 9753
a	10.2091 ± 0.0004 Å
b	15.6663 ± 0.0007 Å
c	11.3058 ± 0.0005 Å
α	90°
β	91.77 ± 0.003°
γ	90°
Cell volume	1807.37 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339662.cif
117459	2014-06-15	cif/ Adding structures of 4339662 via cif-deposit CGI script.	4339662.cif