Crystallography Open Database

Information card for entry 7706538

Preview

Coordinates	7706538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H142 Ge6 Li2 O4 Si12 Te8
Calculated formula	C56 H142 Ge6 Li2 O4 Si12 Te8
Title of publication	LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.
Authors of publication	Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	7
Pages of publication	2663 - 2670
a	9.4374 ± 0.0012 Å
b	21.327 ± 0.003 Å
c	25.337 ± 0.003 Å
α	90°
β	99.818 ± 0.004°
γ	90°
Cell volume	5024.9 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	7
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	0.101
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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

Version history

Revision	Date	Message	Files
262659 (current)	2021-03-05	cif/ Updating files of 7706536, 7706537, 7706538, 7706539 Original log message: Adding full bibliography for 7706536--7706539.cif.	7706538.cif
261376	2021-02-03	cif/ Adding structures of 7706536, 7706537, 7706538, 7706539 via cif-deposit CGI script.	7706538.cif