Crystallography Open Database

Information card for entry 4111138

Preview

Coordinates	4111138.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-CoFe/AgOTf-1
Formula	C86 H60 Ag2 Co F6 Fe N18 O6 S2
Calculated formula	C86 H60 Ag2 Co F6 Fe N18 O6 S2
Title of publication	Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design
Authors of publication	Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15255 - 15268
a	26.813 ± 0.003 Å
b	12.6035 ± 0.0012 Å
c	33.472 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11311.4 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111138.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111138.cif
60662	2012-06-15	cif/ Adding structures of 4111138 via cif-deposit CGI script.	4111138.cif