Crystallography Open Database

Information card for entry 7030077

Preview

Coordinates	7030077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Na14 Ni8 O122 Si2 W18
Calculated formula	B6 Na13.5967 Ni8 O107.08 Si2 W18
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	21.8496 ± 0.0016 Å
b	21.8496 ± 0.0016 Å
c	44.606 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	18442 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	7030077.cif
111400	2014-04-22	cif/ Adding structures of 7030077, 7030078 via cif-deposit CGI script.	7030077.cif