Crystallography Open Database

Information card for entry 8000397

Preview

Coordinates	8000397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 Cu4 I4 N4
Calculated formula	C32 H44 Cu4 I4 N4
SMILES	[I]12[Cu]3456([I]7[Cu]89%104([I]4[Cu]1579([Cu]26%104([I]38)[NH2][C@@H](C)c1ccccc1)[NH2][C@H](c1ccccc1)C)[NH2][C@@H](C)c1ccccc1)[NH2][C@H](c1ccccc1)C
Title of publication	Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.
Authors of publication	Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	1255 - 1260
a	7.54722 ± 0.00004 Å
b	12.06809 ± 0.00005 Å
c	45.0822 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4106.11 ± 0.03 Å³
Cell temperature	294.7 ± 0.2 K
Ambient diffraction temperature	294.7 ± 0.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247449 (current)	2020-02-02	cif/ Adding structures of 8000397 via cif-deposit CGI script.	8000397.cif