Crystallography Open Database

Information card for entry 7246728

Preview

Coordinates	7246728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 F10 Si
Calculated formula	C18 H10 F10 Si
SMILES	[Si](C(=C(\F)C(F)(F)F)\F)(/C(=C(F)\C(F)(F)F)F)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and characterisation of new silicon–perfluoropropenyl compounds
Authors of publication	Alluhaibi, Lulu; Brisdon, Alan; Klejna, Sylwia; Muneer, Abeer
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	20
Pages of publication	13547 - 13555
a	9.4952 ± 0.0008 Å
b	10.2127 ± 0.001 Å
c	10.9 ± 0.0009 Å
α	81.603 ± 0.008°
β	88.316 ± 0.007°
γ	63.297 ± 0.009°
Cell volume	933.35 ± 0.16 Å³
Cell temperature	150.03 ± 0.1 K
Ambient diffraction temperature	150.03 ± 0.1 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	0.0644
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.0478
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
282979 (current)	2023-05-04	cif/ Adding structures of 7246728 via cif-deposit CGI script.	7246728.cif