Crystallography Open Database

Information card for entry 1567383

Preview

Coordinates	1567383.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex
Formula	C11 H8 Au Br F4 N2
Calculated formula	C11 H8 Au Br F4 N2
Title of publication	Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes
Authors of publication	Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	33
Pages of publication	9544 - 9551
a	12.9752 ± 0.0007 Å
b	6.8244 ± 0.0004 Å
c	15.5938 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1380.8 ± 0.14 Å³
Cell temperature	363 K
Ambient diffraction temperature	363 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
277661 (current)	2022-09-06	cif/ Updating files of 1567382, 1567383, 1567384, 1567385, 1567386, 1567387 Original log message: Adding full bibliography for 1567382--1567387.cif.	1567383.cif
276910	2022-07-24	cif/ Adding structures of 1567382, 1567383, 1567384, 1567385, 1567386, 1567387 via cif-deposit CGI script.	1567383.cif