Crystallography Open Database

Information card for entry 4111127

Preview

Coordinates	4111127.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-Co/AgBF~4~-1
Formula	C84 H60 Ag2 B2 Co2 F8 N18
Calculated formula	C42 H30 Ag B1.0015 Co F4.0015 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	33.41 ± 0.02 Å
b	26.932 ± 0.016 Å
c	12.365 ± 0.008 Å
α	90°
β	91.533 ± 0.01°
γ	90°
Cell volume	11122 ± 12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2445
Weighted residual factors for all reflections included in the refinement	0.2628
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	4111127.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111127.cif
60651	2012-06-15	cif/ Adding structures of 4111127 via cif-deposit CGI script.	4111127.cif