Crystallography Open Database

Information card for entry 1558046

Preview

Coordinates	1558046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H118 N4 Si10
Calculated formula	C66 H118 N4 Si10
Title of publication	A highly unsaturated six-vertex amido-substituted silicon cluster.
Authors of publication	Keuter, Jan; Schwermann, Christian; Hepp, Alexander; Bergander, Klaus; Droste, Jörn; Hansen, Michael Ryan; Doltsinis, Nikos L.; Mück-Lichtenfeld, Christian; Lips, Felicitas
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	23
Pages of publication	5895 - 5901
a	13.4808 ± 0.0009 Å
b	14.1304 ± 0.001 Å
c	20.7309 ± 0.0015 Å
α	81.16 ± 0.002°
β	85.017 ± 0.002°
γ	77.197 ± 0.002°
Cell volume	3799.4 ± 0.5 Å³
Cell temperature	116 ± 2 K
Ambient diffraction temperature	116 ± 2 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	0.0476
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
256046 (current)	2020-09-06	cif/ Updating files of 1558046 Original log message: Adding full bibliography for 1558046.cif.	1558046.cif
253846	2020-07-06	cif/ Updating files of 1558046 Original log message: Adding full bibliography for 1558046.cif.	1558046.cif
251964	2020-05-12	cif/ Adding structures of 1558046 via cif-deposit CGI script.	1558046.cif