Crystallography Open Database

Information card for entry 4131940

4131939 << 4131940 >> 4131941

Preview

Coordinates	4131940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H116 Ce I2 Li N6 O2
Calculated formula	C67 H116 Ce I2 Li N6 O2
Title of publication	Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.
Authors of publication	Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	13
Pages of publication	4588 - 4595
a	20.8203 ± 0.0017 Å
b	15.8035 ± 0.0012 Å
c	20.8531 ± 0.0018 Å
α	90°
β	90.547 ± 0.003°
γ	90°
Cell volume	6861.1 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0745
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
242011 (current)	2019-11-25	cif/ Adding structures of 4131935, 4131936, 4131937, 4131938, 4131939, 4131940, 4131941 via cif-deposit CGI script.	4131940.cif