Crystallography Open Database

Information card for entry 4106424

Preview

Coordinates	4106424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121.08 H130.62 Cl6 Lu2 N23.54 O37
Calculated formula	C121.08 H130.62 Cl6 Lu2 N23.54 O37
Title of publication	Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates
Authors of publication	Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	10764 - 10767
a	22.88 ± 0.02 Å
b	24.28 ± 0.02 Å
c	25.54 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	14188 ± 18 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for all reflections	0.1186
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106424.html