Crystallography Open Database

Information card for entry 7701078

Preview

Structure parameters

Formula	C44 H52 Cu2 Gd2 N6 O22
Calculated formula	C44 H52 Cu2 Gd2 N6 O22
Title of publication	The role of 3d-4f exchange interaction in SMM behaviour and magnetic refrigeration of carbonato bridged CuLn (Ln = Dy, Tb and Gd) complexes of an unsymmetrical N<sub>2</sub>O<sub>4</sub> donor ligand.
Authors of publication	Maity, Souvik; Mondal, Arpan; Konar, Sanjit; Ghosh, Ashutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	40
Pages of publication	15170 - 15183
a	14.1519 ± 0.0007 Å
b	12.4217 ± 0.0006 Å
c	14.2822 ± 0.0007 Å
α	90°
β	92.931 ± 0.001°
γ	90°
Cell volume	2507.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7701078.cif
224257	2019-11-08	cif/ Updating files of 7701077, 7701078, 7701079, 7701080 Original log message: Adding full bibliography for 7701077--7701080.cif.	7701078.cif
218061	2019-09-07	cif/ Adding structures of 7701077, 7701078, 7701079, 7701080 via cif-deposit CGI script.	7701078.cif