Crystallography Open Database

Information card for entry 7053243

Preview

Coordinates	7053243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B16 H51 Na O76 V12 Zn2
Calculated formula	B16 Na O76 V12 Zn2
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	17.048 ± 0.008 Å
b	17.431 ± 0.008 Å
c	23.628 ± 0.011 Å
α	90°
β	90.063 ± 0.008°
γ	90°
Cell volume	7021 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0826
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.208
Weighted residual factors for all reflections included in the refinement	0.2196
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7053243.cif
91651	2013-12-13	cif/ Adding structures of 7053243 via cif-deposit CGI script.	7053243.cif