Crystallography Open Database

Information card for entry 1574366

Preview

Coordinates	1574366.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	12.6866 ± 0.0006 Å
b	15.4013 ± 0.0007 Å
c	22.1817 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4334.1 ± 0.3 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 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	0.0534
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
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
300630 (current)	2025-07-06	cif/ Updating files of 1574366, 1574367, 1574368, 1574369, 1574370, 1574371, 1574372, 1574373 Original log message: Adding full bibliography for 1574366--1574373.cif.	1574366.cif
299218	2025-04-09	cif/ Adding structures of 1574366, 1574367, 1574368, 1574369, 1574370, 1574371, 1574372, 1574373 via cif-deposit CGI script.	1574366.cif