Crystallography Open Database

Information card for entry 7707965

Preview

Coordinates	7707965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Ge O2 S2
Calculated formula	C36 H32 Ge O2 S2
SMILES	[Ge](C(=O)c1sc2c(c1)cccc2)(C(=O)c1sc2c(c1)cccc2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.
Authors of publication	Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11965 - 11974
a	10.9006 ± 0.0005 Å
b	28.6448 ± 0.0012 Å
c	11.1809 ± 0.0005 Å
α	90°
β	118.948 ± 0.002°
γ	90°
Cell volume	3055 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
268803 (current)	2021-09-06	cif/ Updating files of 7707961, 7707962, 7707963, 7707964, 7707965 Original log message: Adding full bibliography for 7707961--7707965.cif.	7707965.cif
267968	2021-08-06	cif/ Adding structures of 7707961, 7707962, 7707963, 7707964, 7707965 via cif-deposit CGI script.	7707965.cif