Crystallography Open Database

Information card for entry 1568514

Preview

Coordinates	1568514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H78 N2 O3 Sm
Calculated formula	C55 H78 N2 O3 Sm
Title of publication	Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction
Authors of publication	Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	8
Pages of publication	2149 - 2158
a	13.5817 ± 0.0008 Å
b	14.3505 ± 0.0006 Å
c	13.9019 ± 0.0008 Å
α	90°
β	116.465 ± 0.004°
γ	90°
Cell volume	2425.6 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.239
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
281099 (current)	2023-02-23	cif/ Adding structures of 1568514, 1568515, 1568516, 1568517, 1568518, 1568519, 1568520, 1568521, 1568522, 1568523 via cif-deposit CGI script.	1568514.cif