Crystallography Open Database

Information card for entry 1566129

Preview

Coordinates	1566129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cu2 N6 O3 S2
Calculated formula	C22 H18 Cu2 N6 O3 S2
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	8.1569 ± 0.0009 Å
b	9.6888 ± 0.001 Å
c	16.5639 ± 0.0016 Å
α	75.686 ± 0.004°
β	83.677 ± 0.004°
γ	73.445 ± 0.004°
Cell volume	1214.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0546
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1566129.cif