Crystallography Open Database

Information card for entry 7703429

Preview

Coordinates	7703429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ni O39 S W11
Calculated formula	Ni0.9996 O39.0004 S W10.998
Title of publication	Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.
Authors of publication	Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	9
Pages of publication	2766 - 2770
a	17.747 ± 0.014 Å
b	17.747 ± 0.014 Å
c	17.747 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	5590 ± 8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248986 (current)	2020-03-05	cif/ Updating files of 7703428, 7703429, 7703430, 7703431, 7703432 Original log message: Adding full bibliography for 7703428--7703432.cif.	7703429.cif
247516	2020-02-04	cif/ Adding structures of 7703428, 7703429, 7703430, 7703431, 7703432 via cif-deposit CGI script.	7703429.cif