Crystallography Open Database

Information card for entry 7133320

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Coordinates	7133320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Li2 O4
Calculated formula	C40 H42 Li2 O4
Title of publication	Tetraphenylpentalenide organolanthanide complexes
Authors of publication	Katzer, Nicholas; Kaur, M.; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly Louise; Hintermair, Ulrich
Journal of publication	Chemical Communications
Year of publication	2024
a	10.8476 ± 0.0004 Å
b	10.0967 ± 0.0004 Å
c	15.5113 ± 0.0005 Å
α	90°
β	94.807 ± 0.003°
γ	90°
Cell volume	1692.9 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.9 ± 0.7 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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