Crystallography Open Database

Information card for entry 4111132

Preview

Coordinates	4111132.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-Fe/AgOTf-3
Formula	C54 H36 Ag Fe N9
Calculated formula	C54 H36 Ag Fe N9
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	24.601 ± 0.005 Å
b	16.546 ± 0.004 Å
c	65.775 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	26774 ± 10 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	0.756
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.	4111132.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111132.cif
60656	2012-06-15	cif/ Adding structures of 4111132 via cif-deposit CGI script.	4111132.cif