Crystallography Open Database

Information card for entry 1574373

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Coordinates	1574373.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	11.2926 ± 0.0009 Å
b	17.4255 ± 0.0014 Å
c	22.7813 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4482.9 ± 0.6 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 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	0.0426
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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