Crystallography Open Database

Information card for entry 7113414

Preview

Coordinates	7113414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H188 Cl8 Mn19 N6 O58
Calculated formula	C132 H159 Cl8 Mn19 N6 O58
Title of publication	All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction
Authors of publication	Ayuk M. Ako; Yanhua Lan; Oliver Hampe; Eduard Cremades; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5847
a	14.1015 ± 0.001 Å
b	16.5323 ± 0.0012 Å
c	18.1689 ± 0.0015 Å
α	93.821 ± 0.006°
β	99.472 ± 0.006°
γ	95.429 ± 0.006°
Cell volume	4144.6 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1467
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180248 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113414.cif
115018	2014-06-02	cif/ Adding structures of 7113413, 7113414 via cif-deposit CGI script.	7113414.cif