Crystallography Open Database

Information card for entry 1568523

Preview

Coordinates	1568523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H156 K N4 O4 P3 Y2
Calculated formula	C116 H156 K N4 O4 P3 Y2
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	31.5819 ± 0.0006 Å
b	24.1585 ± 0.0004 Å
c	16.5122 ± 0.0003 Å
α	90°
β	119.726 ± 0.001°
γ	90°
Cell volume	10940.5 ± 0.4 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.2127
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
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.	1568523.cif