Crystallography Open Database

Information card for entry 7048521

Preview

Coordinates	7048521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H82.05 Cl6 Cu3 N6
Calculated formula	C98 H82.05 Cl6 Cu3 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	9.61574 ± 0.00016 Å
b	52.1775 ± 0.0011 Å
c	17.2889 ± 0.0003 Å
α	90°
β	101.733 ± 0.0016°
γ	90°
Cell volume	8493 ± 0.3 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7048521.cif
212957	2019-01-11	cif/ Adding structures of 7048520, 7048521, 7048522 via cif-deposit CGI script.	7048521.cif