Crystallography Open Database

Information card for entry 7047772

Preview

Coordinates	7047772.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(2, 3-DAP)-tri-manganese-18-tungstoantimonate
Formula	C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19
Calculated formula	C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19
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	12.116 ± 0.002 Å
b	14.374 ± 0.003 Å
c	21.414 ± 0.004 Å
α	108.55 ± 0.03°
β	91.9 ± 0.03°
γ	99.07 ± 0.03°
Cell volume	3477.6 ± 1.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	7047772.cif
211441	2018-10-13	cif/ Adding structures of 7047772, 7047773, 7047774, 7047775, 7047776 via cif-deposit CGI script.	7047772.cif