Crystallography Open Database

Information card for entry 7030078

Preview

Coordinates	7030078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Na20 Ni12 O167 P Si3 W27
Calculated formula	B3 Na19.13 Ni12 O154.5 P Si3 W27
Title of publication	Borate-templated self-assembly of multinuclear nickel(II)-containing POMs.
Authors of publication	Li, Shujun; Liu, Shuxia; Tang, Qun; Liu, Yiwei; He, Danfeng; Wang, Shengtian; Shi, Zhan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	37
Pages of publication	13319 - 13322
a	20.919 ± 0.002 Å
b	22.998 ± 0.003 Å
c	23.393 ± 0.003 Å
α	70.983 ± 0.002°
β	87.26 ± 0.002°
γ	63.067 ± 0.002°
Cell volume	9419 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1962
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.225
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
180006 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/00.	7030078.cif
111400	2014-04-22	cif/ Adding structures of 7030077, 7030078 via cif-deposit CGI script.	7030078.cif