Crystallography Open Database

Information card for entry 7044794

Preview

Coordinates	7044794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H38 Er N7 O16
Calculated formula	C33 H38 Er N7 O16
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	10.057 ± 0.0006 Å
b	17.6505 ± 0.0012 Å
c	11.8657 ± 0.0008 Å
α	90°
β	110.362 ± 0.004°
γ	90°
Cell volume	1974.7 ± 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	0.1011
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
203321 (current)	2017-11-18	cif/ Adding structures of 7044793, 7044794, 7044795, 7044796 via cif-deposit CGI script.	7044794.cif