Crystallography Open Database

Information card for entry 7205748

7205747 << 7205748 >> 7205749

Preview

Coordinates	7205748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H155 N30 Ni4 O95 P V36
Calculated formula	C40 H154 N30 Ni4 O95 P V36
Title of publication	{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation
Authors of publication	Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2191
a	18.8231 ± 0.0007 Å
b	18.8231 ± 0.0007 Å
c	20.332 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	7203.8 ± 0.7 Å³
Cell temperature	196 ± 2 K
Ambient diffraction temperature	196 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
180388 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/57.	7205748.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205748.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205748.cif
21001	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205747, 7205748 via cif-deposit CGI script.	7205748.cif