Crystallography Open Database

Information card for entry 1573612

Preview

Coordinates	1573612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Br5 Ce O8 Zn
Calculated formula	C16 H36 Br5 Ce O8 Zn
SMILES	[Ce]12345(Br)([OH]C)([O]6[C@H]([C@@H]([O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6)C)C)[OH]C.[Br-][Zn](Br)(Br)[Br-]
Title of publication	Structural Relaxation Chirality Transfer Enhanced Circularly Polarized Luminescence in Heteronuclear CeIII-MnII Complexes
Authors of publication	Liu, Huanyu; Yu, Gang; Huo, Peihao; Guo, Ruoyao; Li, Yujia; Qi, Hao; Zheng, Jiayin; Jin, Tong; Zhao, Zifeng; Bian, Zuqiang; Liu, Zhiwei
Journal of publication	Materials Horizons
Year of publication	2025
a	10.2108 ± 0.00016 Å
b	10.2108 ± 0.00016 Å
c	58.9846 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6149.8 ± 0.2 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297205 (current)	2025-01-08	cif/ Adding structures of 1573609, 1573610, 1573611, 1573612 via cif-deposit CGI script.	1573612.cif