Crystallography Open Database

Information card for entry 1566131

Preview

Coordinates	1566131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 Au2 Cu2 N12 O2
Calculated formula	C28 H18 Au2 Cu2 N12 O2
SMILES	C(#N)[Au](C#N)(C#N)C#N.c12c3[n](cccc3)[Cu]3([n]2cccc1)[OH][Cu]1([n]2c(c4cccc[n]14)cccc2)[OH]3.[Au](C#N)(C#N)(C#N)C#N
Title of publication	Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions
Authors of publication	Savard, Didier; Storr, Tim; Leznoff, Daniel B.
Journal of publication	Canadian Journal of Chemistry
Year of publication	2014
Journal volume	92
Journal issue	10
Pages of publication	1021 - 1030
a	22.291 ± 0.002 Å
b	7.871 ± 0.0007 Å
c	20.6325 ± 0.0018 Å
α	90°
β	118.248 ± 0.004°
γ	90°
Cell volume	3188.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for all reflections	0.0595
Weighted residual factors for significantly intense reflections	0.0283
Weighted residual factors for all reflections included in the refinement	0.0273
Goodness-of-fit parameter for all reflections included in the refinement	1.0177
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
272245 (current)	2022-01-26	cif/ Adding structures of 1566128, 1566129, 1566130, 1566131, 1566132 via cif-deposit CGI script.	1566131.cif