Crystallography Open Database

Information card for entry 4086500

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Coordinates	4086500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Li O3 Tb
Calculated formula	C40 H58 Li O3 Tb
Title of publication	Paramagnetic NMR Analysis of Substituted Biscyclooctatetraene Lanthanide Complexes
Authors of publication	Hiller, Markus; Maier, Martin; Wadepohl, Hubert; Enders, Markus
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1916
a	19.93306 ± 0.00018 Å
b	11.24577 ± 0.00008 Å
c	62.0951 ± 0.0005 Å
α	90°
β	94.719 ± 0.0008°
γ	90°
Cell volume	13872.2 ± 0.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
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	0.0328
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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