Crystallography Open Database

Information card for entry 7216576

Preview

Coordinates	7216576.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetraphenylphosponium vanadium oxide
Formula	C48 H40 O11 P2 V4
Calculated formula	C48 H40 O11 P2 V4
Title of publication	The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11
Authors of publication	Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	100
Pages of publication	601
a	7.7127 ± 0.0004 Å
b	24.2056 ± 0.0012 Å
c	36.5848 ± 0.0018 Å
α	90°
β	94.75 ± 0.001°
γ	90°
Cell volume	6806.6 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180496 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65.	7216576.cif
116858	2014-06-14	cif/ Adding structures of 7216575, 7216576 via cif-deposit CGI script.	7216576.cif