Crystallography Open Database

Information card for entry 4341112

Preview

Coordinates	4341112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H137 Cd4 N22 O72 P6 V21
Calculated formula	C34 H92 Cd4 N22 O72 P6 V21
Title of publication	Four 2D "Fully Reduced" Polyoxovanadates: Vanadium Oxide Clusters Encapsulating Different Guest Molecules.
Authors of publication	Wan, Hongxiang; Wang, Congling; Zhang, Yu; Miao, Hao; Zhou, Shuai; Xu, Yan
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10498 - 10505
a	16.1652 ± 0.0016 Å
b	32.456 ± 0.003 Å
c	26.362 ± 0.003 Å
α	90°
β	98.963 ± 0.001°
γ	90°
Cell volume	13662 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1997
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
179514 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/11.	4341112.cif
126978	2014-11-12	cif/ Updating files of 4341112, 4341113, 4341114, 4341115 Original log message: Adding full bibliography for 4341112--4341115.cif.	4341112.cif
124059	2014-09-20	cif/ Adding structures of 4341112 via cif-deposit CGI script.	4341112.cif