Crystallography Open Database

Information card for entry 7221630

Preview

Coordinates	7221630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H30 Cu N4 O9 V2
Calculated formula	C10 H24 Cu N4 O9 V2
Title of publication	Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid
Authors of publication	Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	46
Pages of publication	8915
a	8.0199 ± 0.0002 Å
b	13.9524 ± 0.0006 Å
c	14.2588 ± 0.0005 Å
α	102.032 ± 0.003°
β	101.742 ± 0.003°
γ	97.56 ± 0.003°
Cell volume	1502.38 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0338
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
173743 (current)	2016-01-09	cif/ Updating files of 7221629, 7221630, 7221631, 7221632 Original log message: Adding full bibliography for 7221629--7221632.cif.	7221630.cif
152497	2015-07-24	cif/ Adding structures of 7221629, 7221630, 7221631, 7221632 via cif-deposit CGI script.	7221630.cif