Crystallography Open Database

Information card for entry 1551499

Preview

Coordinates	1551499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20.5 Cl3 Cr N4 O4.25
Calculated formula	C20 H20.5 Cl3 Cr N4 O4.25
Title of publication	Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry
Authors of publication	Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac
Journal of publication	Nature Chemistry
Year of publication	2018
Journal volume	10
Pages of publication	1056 - 1061
a	13.4559 ± 0.0003 Å
b	15.142 ± 0.0004 Å
c	23.1601 ± 0.0006 Å
α	90°
β	93.2 ± 0.001°
γ	90°
Cell volume	4711.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0332
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216100 (current)	2019-06-19	cif/ Adding structures of 1551499 via cif-deposit CGI script.	1551499.cif