Crystallography Open Database

Information card for entry 7708856

Preview

Coordinates	7708856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 F8 Ge O6 P2 S2
Calculated formula	C12 H16 F8 Ge O6 P2 S2
SMILES	[Ge]1([P](c2c([P]1(C)C)cccc2)(C)C)(F)(OS(=O)(=O)C(F)(F)F)(F)OS(=O)(=O)C(F)(F)F
Title of publication	Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures
Authors of publication	King, Rhys; Levason, William; Reid, Gillian
Journal of publication	Dalton Transactions
Year of publication	2021
a	8.49904 ± 0.00014 Å
b	15.8315 ± 0.0003 Å
c	16.3349 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2197.9 ± 0.08 Å³
Cell temperature	100.2 ± 0.8 K
Ambient diffraction temperature	100.2 ± 0.8 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
270707 (current)	2021-11-17	cif/ Adding structures of 7708856, 7708857, 7708858, 7708859, 7708860, 7708861, 7708862, 7708863, 7708864, 7708865 via cif-deposit CGI script.	7708856.cif