Crystallography Open Database

Information card for entry 1546970

Preview

Coordinates	1546970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H121.35 Gd K N2 O10
Calculated formula	C85.0002 H121.35 Gd K N2 O9.9999
Title of publication	Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment
Authors of publication	Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.
Journal of publication	Chem. Sci.
Year of publication	2017
a	19.7291 ± 0.0009 Å
b	19.7291 ± 0.0009 Å
c	19.7291 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7679.3 ± 0.6 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
200357 (current)	2017-09-08	cif/ Adding structures of 1546967, 1546968, 1546969, 1546970, 1546971, 1546972, 1546973, 1546974, 1546975 via cif-deposit CGI script.	1546970.cif