Crystallography Open Database

Information card for entry 4118535

Preview

Coordinates	4118535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H298 K12 Nb96 O395
Calculated formula	K12.02 Nb96 O300
Title of publication	Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters
Authors of publication	Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	14004 - 14010
a	39.2527 ± 0.0014 Å
b	39.2527 ± 0.0014 Å
c	106.905 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	142649 ± 12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178956 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/85.	4118535.cif
76075	2013-03-15	cif/ Adding structures of 4118535 via cif-deposit CGI script.	4118535.cif