Crystallography Open Database

Information card for entry 7122213

Preview

Coordinates	7122213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 Si6 Tb2
Calculated formula	C42 H72 Si6 Tb2
Title of publication	The "Wanderlust" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.
Authors of publication	Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	73
Pages of publication	10280 - 10283
a	20.141 ± 0.004 Å
b	12.664 ± 0.003 Å
c	20.822 ± 0.004 Å
α	90°
β	116.07 ± 0.013°
γ	90°
Cell volume	4770.6 ± 1.8 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228048 (current)	2019-11-17	cif/ Updating files of 7122212, 7122213, 7122214, 7122215, 7122216 Original log message: Adding full bibliography for 7122212--7122216.cif.	7122213.cif
210029	2018-08-22	cif/ Adding structures of 7122212, 7122213, 7122214, 7122215, 7122216 via cif-deposit CGI script.	7122213.cif