Crystallography Open Database

Information card for entry 1557379

Preview

Coordinates	1557379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Au2 Fe N6
Calculated formula	C22 H14 Au2 Fe N6
Title of publication	Light- and temperature-assisted spin state annealing: accessing the hidden multistability
Authors of publication	Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	3281 - 3289
a	10.7701 ± 0.001 Å
b	14.1621 ± 0.0012 Å
c	14.7425 ± 0.0013 Å
α	90.082 ± 0.003°
β	96.077 ± 0.003°
γ	90.471 ± 0.003°
Cell volume	2235.9 ± 0.3 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80.09 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.2285
Goodness-of-fit parameter for all reflections included in the refinement	1.349
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257415 (current)	2020-10-06	cif/ Updating files of 1557376, 1557377, 1557378, 1557379 Original log message: Adding full bibliography for 1557376--1557379.cif.	1557379.cif
250259	2020-04-05	cif/ Updating files of 1557376, 1557377, 1557378, 1557379 Original log message: Adding full bibliography for 1557376--1557379.cif.	1557379.cif
248473	2020-02-27	cif/ Adding structures of 1557376, 1557377, 1557378, 1557379 via cif-deposit CGI script.	1557379.cif