Crystallography Open Database

Information card for entry 7714949

Preview

Coordinates	7714949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H78 Cl6 Fe8 N10 O49 Tb2
Calculated formula	C60 H78 Cl6 Fe8 N10 O49 Tb2
Title of publication	Single-molecule magnet behavior in heterometallic decanuclear [Ln<sub>2</sub>Fe<sub>8</sub>] (Ln = Y, Dy, Ho, Tb, Gd) coordination clusters.
Authors of publication	Chen, Man-Ting; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3097 - 3103
a	13.6194 ± 0.0004 Å
b	13.4851 ± 0.0003 Å
c	27.7249 ± 0.0005 Å
α	90°
β	91.36 ± 0.002°
γ	90°
Cell volume	5090.5 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
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	0.1073
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2413
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290189 (current)	2024-03-04	cif/ Updating files of 7714948, 7714949, 7714950, 7714951, 7714952 Original log message: Adding full bibliography for 7714948--7714952.cif.	7714949.cif
288988	2024-01-10	cif/ Adding structures of 7714948, 7714949, 7714950, 7714951, 7714952 via cif-deposit CGI script.	7714949.cif