Crystallography Open Database

Information card for entry 7047775

Preview

Coordinates	7047775.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hexa-zinc-18-tungstoantimonate
Formula	C68 H109 N22 O94 Sb2 W18 Zn6
Calculated formula	C68 H105 N22 O94.6 Sb2 W17.9 Zn6
Title of publication	Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate.
Authors of publication	Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	44
Pages of publication	15651 - 15655
a	12.4792 ± 0.0008 Å
b	17.4813 ± 0.0013 Å
c	17.6938 ± 0.0011 Å
α	94.425 ± 0.004°
β	109.14 ± 0.003°
γ	104.946 ± 0.004°
Cell volume	3467.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0683
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
229268 (current)	2019-11-17	cif/ Updating files of 7047772, 7047773, 7047774, 7047775, 7047776 Original log message: Adding full bibliography for 7047772--7047776.cif.	7047775.cif
211441	2018-10-13	cif/ Adding structures of 7047772, 7047773, 7047774, 7047775, 7047776 via cif-deposit CGI script.	7047775.cif