Crystallography Open Database

Information card for entry 4334036

Preview

Coordinates	4334036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 N6 Ni2 O18 V4
Calculated formula	C36 H42 N6 Ni2 O18 V4
Title of publication	Thermal Response, Catalytic Activity, and Color Change of the First Hybrid Vanadate Containing Bpe Guest Molecules
Authors of publication	Roberto Fernández de Luis; M. Karmele Urtiaga; José L. Mesa; Edurne S. Larrea; Marta Iglesias; Teófilo Rojo; María I. Arriortua
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2615 - 2626
a	7.7086 ± 0.0003 Å
b	11.4007 ± 0.0004 Å
c	13.499 ± 0.0003 Å
α	96.395 ± 0.002°
β	105.619 ± 0.003°
γ	99.339 ± 0.003°
Cell volume	1112.28 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0304
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179443 (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 4/33/40.	4334036.cif
99846	2014-02-03	cif/ Adding structures of 4334036 via cif-deposit CGI script.	4334036.cif