Crystallography Open Database

Information card for entry 7711774

Preview

Coordinates	7711774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H65 Cl9 Dy3 N11 O10
Calculated formula	C90 H65 Cl9 Dy3 N11 O10
SMILES	[Dy]12345(Cl)(Oc6ccc(Cl)c7ccc[n]3c67)[O]([Dy]3678([O]1c1ccc(Cl)c9ccc[n]5c19)([O]2c1ccc(Cl)c2ccc[n]7c12)[O]1[Dy]25([O]3c3ccc(Cl)c7ccc[n]8c37)([O]6c3ccc(Cl)c6ccc[n]2c36)(Oc2ccc(Cl)c3ccc[n]5c23)([OH2])[n]2cccc3c(Cl)ccc1c23)c1ccc(Cl)c2ccc[n]4c12.O.n1c(cccc1)C.n1ccccc1C.n1c(cccc1)C
Title of publication	Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties
Authors of publication	Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger
Journal of publication	Dalton Transactions
Year of publication	2022
a	14.026 ± 0.003 Å
b	20.243 ± 0.004 Å
c	31.359 ± 0.006 Å
α	90°
β	102.23 ± 0.03°
γ	90°
Cell volume	8702 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1248
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279302 (current)	2022-11-16	cif/ Adding structures of 7711772, 7711773, 7711774, 7711775, 7711776, 7711777, 7711778, 7711779 via cif-deposit CGI script.	7711774.cif