Crystallography Open Database

Information card for entry 1565710

Preview

Coordinates	1565710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H58 Er2 O14
Calculated formula	C76 H58 Er2 O14
SMILES	[Er]12345([O]=Cc6cccc7[O]([Er]89%10([O]1c67)([O]3c1c(C=[O]8)cccc1[O]2C)(OC(=CC(=[O]9)c1ccccc1)c1ccccc1)OC(=CC(=[O]%10)c1ccccc1)c1ccccc1)C)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=C(c1ccccc1)C=C(O5)c1ccccc1
Title of publication	New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism
Authors of publication	Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	499
Pages of publication	119203
a	13.42 ± 0.003 Å
b	17.024 ± 0.003 Å
c	17.067 ± 0.003 Å
α	71.46 ± 0.03°
β	67.42 ± 0.03°
γ	89.4 ± 0.03°
Cell volume	3385.6 ± 1.6 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.0653
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
271365 (current)	2021-12-13	cif/ Adding structures of 1565708, 1565709, 1565710, 1565711 via cif-deposit CGI script.	1565710.cif