Crystallography Open Database

Information card for entry 4341687

Preview

Coordinates	4341687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H122 Cl5 Cu2 Gd7 N4 O46
Calculated formula	C69 H89 Cl5 Cu2 Gd7 N4 O46
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	32.1 ± 0.006 Å
b	11.9 ± 0.002 Å
c	29.42 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	11238 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71078 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	4341687.cif
127626	2014-11-21	cif/ Adding structures of 4341687 via cif-deposit CGI script.	4341687.cif