Crystallography Open Database

Information card for entry 7049047

Preview

Coordinates	7049047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cr K N8
Calculated formula	C10 H16 Cr K N8
Title of publication	Isostructural phase transition, quasielastic neutron scattering and magnetic resonance studies of a bistable dielectric ion-pair crystal [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]<sub>2</sub>KCr(CN)<sub>6</sub>.
Authors of publication	Rok, M.; Bator, G.; Zarychta, B.; Dziuk, B.; Repeć, J; Medycki, W.; Zamponi, M.; Usevičius, G; Šimėnas, M; Banys, J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	13
Pages of publication	4190 - 4202
a	8.403 ± 0.0001 Å
b	8.403 ± 0.0001 Å
c	11.8999 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	840.26 ± 0.03 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	5
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224277 (current)	2019-11-08	cif/ Updating files of 7049046, 7049047 Original log message: Adding full bibliography for 7049046--7049047.cif.	7049047.cif
213699	2019-02-19	cif/ Adding structures of 7049046, 7049047 via cif-deposit CGI script.	7049047.cif