Crystallography Open Database

Information card for entry 7703827

Preview

Coordinates	7703827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Co0.58 Fe0.42 K N10
Calculated formula	C12 H9.9996 Co0.5761 Fe0.4238 K N9.9996
Title of publication	Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].
Authors of publication	Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	17
Pages of publication	5503 - 5512
a	8.747 ± 0.003 Å
b	8.747 ± 0.003 Å
c	19.074 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1263.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
252764 (current)	2020-06-05	cif/ Updating files of 7703827, 7703828, 7703829 Original log message: Adding full bibliography for 7703827--7703829.cif.	7703827.cif
249602	2020-03-21	cif/ Adding structures of 7703827, 7703828, 7703829 via cif-deposit CGI script.	7703827.cif