Crystallography Open Database

Information card for entry 7224767

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Structure parameters

Formula	C82 H66 Er2 N2 O12
Calculated formula	C82 H66 Er2 N2 O12
SMILES	[Er]123([O](c4c5[n]6cccc5ccc4)[Er]4567([O]1c1c6[n]7cccc6ccc1)(OC(=CC(=[O]5)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)[OH]C.O=C(C)C
Title of publication	Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes
Authors of publication	Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong
Journal of publication	RSC Adv.
Year of publication	2016
a	11.064 ± 0.002 Å
b	18.015 ± 0.004 Å
c	18.101 ± 0.004 Å
α	87.1 ± 0.03°
β	76.3 ± 0.03°
γ	78.86 ± 0.03°
Cell volume	3439.1 ± 1.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224767.cif
180650	2016-03-31	cif/ Adding structures of 7224763, 7224764, 7224765, 7224766, 7224767 via cif-deposit CGI script.	7224767.cif