Crystallography Open Database

Information card for entry 1574370

Preview

Coordinates	1574370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Au2 N7 O Zn
Calculated formula	C17 H17 Au2 N7 O Zn
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	11.96862 ± 0.0002 Å
b	16.947 ± 0.0003 Å
c	22.7781 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4620.13 ± 0.13 Å³
Cell temperature	299.99 ± 0.1 K
Ambient diffraction temperature	299.99 ± 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	0.0497
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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

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