Crystallography Open Database

Information card for entry 7234307

Preview

Coordinates	7234307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H48 Cl3 Dy O27
Calculated formula	C20 H48 Cl3 Dy O27
SMILES	[Dy]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)([OH2])([OH2])([OH2])[OH2].O1CCOCCOCCOCCOCC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Placing a crown on DyIII - a dual property LnIII crown ether complex displaying optical properties and SMM behaviour
Authors of publication	Emma L. Gavey; Majeda Al Hareri; Jeffery Regier; Luis D. Carlos; Rute A. S. Ferreira; Fereidoon S. Razavi; Jeremy M. Rawson; Melanie Pilkington
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7738 - 7747
a	15.8533 ± 0.0014 Å
b	14.6908 ± 0.0014 Å
c	16.4867 ± 0.0015 Å
α	90°
β	99.409 ± 0.004°
γ	90°
Cell volume	3788.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.049
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.233
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
219022 (current)	2019-10-02	cif/ Adding structures of 7234306, 7234307 via cif-deposit CGI script.	7234307.cif