Crystallography Open Database

Information card for entry 4341688

Preview

Coordinates	4341688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H202 Cl8 Cu4 Gd12 N6 O66
Calculated formula	C142 H182 Cl7.98 Cu4 Gd12 N6 O65.96
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	17.81 ± 0.004 Å
b	17.97 ± 0.004 Å
c	18.51 ± 0.004 Å
α	64.27 ± 0.03°
β	64.4 ± 0.03°
γ	86.65 ± 0.03°
Cell volume	4752 ± 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	0.0431
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1125
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	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.	4341688.cif
127627	2014-11-21	cif/ Adding structures of 4341688 via cif-deposit CGI script.	4341688.cif