Crystallography Open Database

Information card for entry 7708858

Preview

Coordinates	7708858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H41 Cl2 F4 Ge P3
Calculated formula	C42 H41 Cl2 F4 Ge P3
SMILES	[Ge]1([P](CC(CP(c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(F)(F)(F)F.ClCCl
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	13.9614 ± 0.0002 Å
b	12.904 ± 0.0002 Å
c	21.6728 ± 0.0003 Å
α	90°
β	96.862 ± 0.001°
γ	90°
Cell volume	3876.56 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.055
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7708858.cif