Crystallography Open Database

Information card for entry 7714851

Preview

Coordinates	7714851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H51 Cu Dy N2 O11
Calculated formula	C36 H51 Cu Dy N2 O11
SMILES	[Dy]123456([O]7[Cu]89([O]1c1c([O]2C)cc(cc1C=[N]8CC(O)C[N]9=Cc1c7c([O]4C)cc(c1)C)C)[O]=C(O5)C(C)(C)C)([O]=C(O6)C(C)(C)C)[O]=C(O3)C(C)(C)C
Title of publication	Insight into ferromagnetic interactions in Cu<sup>II</sup>-Ln<sup>III</sup> dimers with a compartmental ligand.
Authors of publication	Panja, Anangamohan; Paul, Sagar; Moreno-Pineda, Eufemio; Herchel, Radovan; Jana, Narayan Ch; Brandão, Paula; Novitchi, Ghenadie; Wernsdorfer, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2501 - 2511
a	11.6733 ± 0.0008 Å
b	13.8531 ± 0.001 Å
c	13.9469 ± 0.001 Å
α	76.134 ± 0.002°
β	65.37 ± 0.002°
γ	68.404 ± 0.002°
Cell volume	1896.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
290170 (current)	2024-03-04	cif/ Updating files of 7714850, 7714851, 7714852, 7714853 Original log message: Adding full bibliography for 7714850--7714853.cif.	7714851.cif
288560	2023-12-28	cif/ Adding structures of 7714850, 7714851, 7714852, 7714853 via cif-deposit CGI script.	7714851.cif