Crystallography Open Database

Information card for entry 4111129

Preview

Coordinates	4111129.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-Fe/AgPF~6~-1
Formula	C58 H43.5 Ag F6 Fe N12.5 P
Calculated formula	C58 H43.5 Ag F6 Fe N12.5 P
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	13.089 ± 0.003 Å
b	16.265 ± 0.003 Å
c	16.105 ± 0.003 Å
α	110.124 ± 0.003°
β	112.084 ± 0.003°
γ	98.571 ± 0.003°
Cell volume	2826.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111129.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111129.cif
60653	2012-06-15	cif/ Adding structures of 4111129 via cif-deposit CGI script.	4111129.cif