Crystallography Open Database

Information card for entry 1557296

Preview

Coordinates	1557296.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	germa-aluminocene
Formula	C22 H39 Al Ge Si2
Calculated formula	C22 H39 Al Ge Si2
Title of publication	A germaaluminocene
Authors of publication	Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	11
Pages of publication	2982 - 2986
a	9.6414 ± 0.0005 Å
b	13.3432 ± 0.0007 Å
c	19.6279 ± 0.001 Å
α	90°
β	95.4683 ± 0.0019°
γ	90°
Cell volume	2513.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0336
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
257403 (current)	2020-10-06	cif/ Updating files of 1557296 Original log message: Adding full bibliography for 1557296.cif.	1557296.cif
250247	2020-04-05	cif/ Updating files of 1557296 Original log message: Adding full bibliography for 1557296.cif.	1557296.cif
248020	2020-02-11	cif/ Adding structures of 1557296 via cif-deposit CGI script.	1557296.cif