Crystallography Open Database

Information card for entry 4342328

Preview

Coordinates	4342328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H50 N2 O19 V6
Calculated formula	C18 H50 N2 O19 V6
Title of publication	Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.
Authors of publication	Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1454 - 1461
a	17.2607 ± 0.0003 Å
b	10.4781 ± 0.0002 Å
c	19.6314 ± 0.0004 Å
α	90°
β	95.164 ± 0.001°
γ	90°
Cell volume	3536.11 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0491
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179526 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23.	4342328.cif
132801	2015-03-04	cif/ Updating files of 4342328, 4342329, 4342330, 4342331, 4342332 Original log message: Adding full bibliography for 4342328--4342332.cif.	4342328.cif
131148	2015-02-05	cif/ Adding structures of 4342328 via cif-deposit CGI script.	4342328.cif