Crystallography Open Database

Information card for entry 4341684

Preview

Coordinates	4341684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H202 Cl8 Cu4 N6 O66 Tb12
Calculated formula	C142 H154 Cl7.98 Cu4 N6 O65.96 Tb12
Title of publication	Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect
Authors of publication	Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141119100121008
a	17.84 ± 0.004 Å
b	17.86 ± 0.004 Å
c	18.51 ± 0.004 Å
α	64.24 ± 0.03°
β	64.98 ± 0.03°
γ	86.83 ± 0.03°
Cell volume	4753 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71078 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179519 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16.	4341684.cif
127623	2014-11-21	cif/ Adding structures of 4341684 via cif-deposit CGI script.	4341684.cif