Crystallography Open Database

Information card for entry 4003422

Preview

Coordinates	4003422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Au2 Br4 Cu N4 O4 S4
Calculated formula	C12 H24 Au2 Br4 Cu N4 O4 S4
SMILES	C(#N)[Au](Br)(C#N)Br.[O](=S(C)C)[Cu]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Au](C#N)(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	8.2802 ± 0.0007 Å
b	8.508 ± 0.0007 Å
c	11.2279 ± 0.0009 Å
α	80.18 ± 0.0019°
β	79.306 ± 0.002°
γ	86.825 ± 0.0019°
Cell volume	765.63 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4003422.cif