Crystallography Open Database

Information card for entry 1566130

Preview

Coordinates	1566130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Au2 Cu2 N12 O4
Calculated formula	C28 H22 Au2 Cu2 N12 O4
SMILES	C(#N)[Au](C#N)(C#N)C#N.c1cccc2c3[n]([Cu]4([n]12)[OH][Cu]1([n]2c(c5cccc[n]15)cccc2)[OH]4)cccc3.O.C(#N)[Au](C#N)(C#N)C#N.O
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	8.226 ± 0.0001 Å
b	10.139 ± 0.0001 Å
c	11.455 ± 0.0002 Å
α	105.971 ± 0.0008°
β	107.176 ± 0.0008°
γ	102.436 ± 0.0008°
Cell volume	830.53 ± 0.02 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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.	1566130.cif