Crystallography Open Database

Information card for entry 1547990

Preview

Coordinates	1547990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 F1.5 Ir0.25 N2 Zn0.25
Calculated formula	C5 H6 F1.5 Ir0.25 N2 Zn0.25
Title of publication	Iridates from the molecular side
Authors of publication	Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	12195
a	12.4516 ± 0.0004 Å
b	12.4516 ± 0.0004 Å
c	8.1424 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1262.42 ± 0.07 Å³
Cell temperature	122 ± 1 K
Ambient diffraction temperature	122 ± 1 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0134
Weighted residual factors for significantly intense reflections	0.0297
Weighted residual factors for all reflections included in the refinement	0.0349
Goodness-of-fit parameter for all reflections included in the refinement	1.0337
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
203079 (current)	2017-11-10	cif/ Adding structures of 1547990 via cif-deposit CGI script.	1547990.cif