Crystallography Open Database

Information card for entry 7111613

Preview

Coordinates	7111613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Cu2 N5
Calculated formula	C23 H27 Cu2 N5
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	8.6557 ± 0.0002 Å
b	16.552 ± 0.0004 Å
c	17.2948 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2477.81 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7111613.cif
96699	2014-01-29	cif/ Adding structures of 7111608, 7111609, 7111610, 7111611, 7111612, 7111613 via cif-deposit CGI script.	7111613.cif