Crystallography Open Database

Information card for entry 7048520

Preview

Coordinates	7048520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H81 Au3 N6
Calculated formula	C96 H81 Au3 N6
Title of publication	Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance.
Authors of publication	Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	7
Pages of publication	2275 - 2279
a	9.1649 ± 0.0005 Å
b	17.6824 ± 0.0005 Å
c	29.9758 ± 0.0005 Å
α	72.855 ± 0.002°
β	87.796 ± 0.003°
γ	76.607 ± 0.004°
Cell volume	4513.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224310 (current)	2019-11-08	cif/ Updating files of 7048520, 7048521, 7048522 Original log message: Adding full bibliography for 7048520--7048522.cif.	7048520.cif
212957	2019-01-11	cif/ Adding structures of 7048520, 7048521, 7048522 via cif-deposit CGI script.	7048520.cif