Crystallography Open Database

Information card for entry 1574369

Preview

Coordinates	1574369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Au2 Fe N7 O
Calculated formula	C17 H17 Au2 Fe N7 O
Title of publication	Switchable colossal anisotropic thermal expansion in a spin crossover framework
Authors of publication	Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	20
Pages of publication	8845 - 8852
a	11.5562 ± 0.0004 Å
b	17.2475 ± 0.0007 Å
c	22.9494 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4574.2 ± 0.3 Å³
Cell temperature	224.98 ± 0.1 K
Ambient diffraction temperature	224.98 ± 0.1 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1574369.html