Crystallography Open Database

Information card for entry 1515095

Preview

Coordinates	1515095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 Ag N2
Calculated formula	C4 H5 Ag N2
Title of publication	Supramolecular mechanics in a metal‒organic framework
Authors of publication	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	10
Pages of publication	3011
a	6.828 ± 0.002 Å
b	5.4298 ± 0.0003 Å
c	10.8209 ± 0.0005 Å
α	90°
β	96.076 ± 0.011°
γ	90°
Cell volume	398.93 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for all reflections	0.1545
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.0033
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1515095.cif
110864	2014-04-20	cif/ Adding structures of 1515083, 1515084, 1515085, 1515086, 1515087, 1515088, 1515089, 1515090, 1515091, 1515092, 1515093, 1515094, 1515095 via cif-deposit CGI script.	1515095.cif