Crystallography Open Database

Information card for entry 4003423

Preview

Coordinates	4003423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Au2 Br4 Cu N4 O8
Calculated formula	C12 H24 Au2 Br4 Cu N4 O8
SMILES	C(#[N][Cu]([N]#C[Au](C#N)(Br)Br)([OH]CCO)([OH]CCO)([OH]CCO)[OH]CCO)[Au](C#N)(Br)Br
Title of publication	Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials
Authors of publication	Ovens, Jeffrey S.; Leznoff, Daniel B.
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	5
Pages of publication	1465
a	11.6264 ± 0.00015 Å
b	8.091 ± 0.0001 Å
c	14.8596 ± 0.00019 Å
α	90°
β	104.857 ± 0.0006°
γ	90°
Cell volume	1351.1 ± 0.03 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	7
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	0.0722
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
239741 (current)	2019-11-25	cif/ Adding structures of 4003419, 4003420, 4003421, 4003422, 4003423, 4003424, 4003425 via cif-deposit CGI script.	4003423.cif