Crystallography Open Database

Information card for entry 4111125

Preview

Coordinates	4111125.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-Fe/AgOTf-1
Formula	C160 H123 Ag3 F9 Fe3 N29 O9 S3
Calculated formula	C160 H123 Ag3 F9 Fe3 N29 O9 S3
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	33.186 ± 0.005 Å
b	66.054 ± 0.01 Å
c	14.882 ± 0.002 Å
α	90°
β	110.699 ± 0.002°
γ	90°
Cell volume	30517 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2314
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4111125.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111125.cif
60649	2012-06-15	cif/ Adding structures of 4111125 via cif-deposit CGI script.	4111125.cif