Crystallography Open Database

Information card for entry 7705104

Preview

Coordinates	7705104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Cl2 Dy N2 O2
Calculated formula	C34 H52 Cl2 Dy N2 O2
SMILES	[Dy]1(Cl)(Cl)([O]2CCCC2)([O]2CCCC2)[N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.
Authors of publication	Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11890 - 11901
a	10.1402 ± 0.0006 Å
b	19.7105 ± 0.001 Å
c	18.548 ± 0.001 Å
α	90°
β	105.411 ± 0.0012°
γ	90°
Cell volume	3573.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0287
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
256117 (current)	2020-09-06	cif/ Updating files of 7705103, 7705104, 7705105, 7705106 Original log message: Adding full bibliography for 7705103--7705106.cif.	7705104.cif
255246	2020-08-12	cif/ Adding structures of 7705103, 7705104, 7705105, 7705106 via cif-deposit CGI script.	7705104.cif