Crystallography Open Database

Information card for entry 7714769

Preview

Coordinates	7714769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H300 Dy12 Fe8 N40 O102
Calculated formula	C130 H272 Dy12 Fe8 N36 O98
Title of publication	A nested spin structure and single molecule magnet behaviour in an Fe<sub>8</sub>Dy<sub>12</sub> heterometallic cyclic coordination cluster.
Authors of publication	Peng, Yan; Braun, Jonas; Schulze, Michael; Kaemmerer, Hagen; Schneider, Yannik F.; Anson, Christopher E.; Wernsdorfer, Wolfgang; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	894 - 897
a	37.7905 ± 0.0013 Å
b	37.7905 ± 0.0013 Å
c	61.582 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	87947 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.1996
Goodness-of-fit parameter for all reflections included in the refinement	1.576
Diffraction radiation wavelength	0.79942 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289544 (current)	2024-02-04	cif/ Updating files of 7714769 Original log message: Adding full bibliography for 7714769.cif.	7714769.cif
288452	2023-12-21	cif/ Adding structures of 7714769 via cif-deposit CGI script.	7714769.cif