Crystallography Open Database

Information card for entry 7053242

Preview

Coordinates	7053242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B16 Cd3 H53.5 Na3.5 O79.5 V12
Calculated formula	B16 Cd3 Na3.5 O79.5 V12
Title of publication	Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers
Authors of publication	Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	12
Pages of publication	4077
a	12.393 ± 0.005 Å
b	12.925 ± 0.005 Å
c	20.31 ± 0.009 Å
α	93.317 ± 0.005°
β	91.661 ± 0.005°
γ	100.267 ± 0.005°
Cell volume	3193 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.083
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.2316
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053242.cif
91649	2013-12-13	cif/ Adding structures of 7053242 via cif-deposit CGI script.	7053242.cif