Crystallography Open Database

Information card for entry 4349479

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Structure parameters

Formula	C73 H63 Dy Li N O4
Calculated formula	C73 H63 Dy Li N O4
SMILES	[Dy]1([O](C(c2ccccc2)(c2ccccc2)c2ccccc2)[Li]([O]1C(c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1)(N(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy–O bonds
Authors of publication	Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	8
Pages of publication	1028
a	17.1728 ± 0.0013 Å
b	18.0592 ± 0.0013 Å
c	19.3313 ± 0.0014 Å
α	90°
β	95.064 ± 0.001°
γ	90°
Cell volume	5971.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0716
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4349479.cif
234807	2019-11-23	cif/ Adding structures of 4349478, 4349479 via cif-deposit CGI script.	4349479.cif