Crystallography Open Database

Information card for entry 7044793

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Structure parameters

Formula	C35 H41 N8 O16 Tb
Calculated formula	C35 H41 N8 O16 Tb
Title of publication	Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet
Authors of publication	Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina
Journal of publication	Dalton Transactions
Year of publication	2017
a	10.0065 ± 0.0006 Å
b	17.7675 ± 0.001 Å
c	11.8168 ± 0.0008 Å
α	90°
β	109.875 ± 0.004°
γ	90°
Cell volume	1975.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7044793.cif
203321	2017-11-18	cif/ Adding structures of 7044793, 7044794, 7044795, 7044796 via cif-deposit CGI script.	7044793.cif