Crystallography Open Database

Information card for entry 7128453

Preview

Coordinates	7128453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H70 N12 O14 Zn3
Calculated formula	C60 H70 N12 O14 Zn3
Title of publication	Triple-mode tunable long-persistent luminescence in a 3D zinc-organic hybrid.
Authors of publication	Ma, Yu-Juan; Fang, Xiaoyu; Xiao, Guowei; Lu, Bo; Yan, Dongpeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	54
Pages of publication	6684 - 6687
a	17.6445 ± 0.0002 Å
b	25.2002 ± 0.0003 Å
c	6.8741 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3056.53 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268594 (current)	2021-09-06	cif/ Updating files of 7128453 Original log message: Adding full bibliography for 7128453.cif.	7128453.cif
266235	2021-06-08	cif/ Adding structures of 7128453 via cif-deposit CGI script.	7128453.cif