Crystallography Open Database

Information card for entry 7122214

Preview

Coordinates	7122214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H144 Si12 Y4
Calculated formula	C84 H144 Si12 Y4
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	11.761 ± 0.008 Å
b	13.119 ± 0.006 Å
c	15.744 ± 0.008 Å
α	87.01 ± 0.04°
β	81.33 ± 0.05°
γ	86.58 ± 0.05°
Cell volume	2395 ± 2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
228048 (current)	2019-11-17	cif/ Updating files of 7122212, 7122213, 7122214, 7122215, 7122216 Original log message: Adding full bibliography for 7122212--7122216.cif.	7122214.cif
210029	2018-08-22	cif/ Adding structures of 7122212, 7122213, 7122214, 7122215, 7122216 via cif-deposit CGI script.	7122214.cif