Crystallography Open Database

Information card for entry 4325105

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Structure parameters

Formula	C36 H42 Cu3 N9 O18 Tb
Calculated formula	C36 H42 Cu3 N9 O18 Tb
Title of publication	A Tetranuclear, Macrocyclic 3d-4f Complex Showing Single-Molecule Magnet Behavior
Authors of publication	Humphrey L. C. Feltham; Rodolphe Clérac; Annie K. Powell; Sally Brooker
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4232 - 4234
a	12.286 ± 0.002 Å
b	13.379 ± 0.003 Å
c	14.819 ± 0.005 Å
α	109.687 ± 0.012°
β	96.526 ± 0.012°
γ	109.584 ± 0.009°
Cell volume	2089.1 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.1376
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4325105.cif
179354	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51.	4325105.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325105.cif
43557	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325105 via cif-deposit CGI script.	4325105.cif