Crystallography Open Database

Information card for entry 7111612

Preview

Coordinates	7111612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Cu N2
Calculated formula	C7 H7 Cu N2
Title of publication	Reversible luminescent reaction of amines with copper(i) cyanide
Authors of publication	Ley, Amanda N.; Dunaway, Lars E.; Brewster, Timothy P.; Dembo, Matthew D.; Harris, T. David; Baril-Robert, François; Li, Xiaobo; Patterson, Howard H.; Pike, Robert D.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4565 - 4567
a	10.0593 ± 0.0002 Å
b	8.7276 ± 0.0001 Å
c	8.9901 ± 0.0002 Å
α	90°
β	108.709 ± 0.001°
γ	90°
Cell volume	747.57 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0316
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111612.cif
96699	2014-01-29	cif/ Adding structures of 7111608, 7111609, 7111610, 7111611, 7111612, 7111613 via cif-deposit CGI script.	7111612.cif