Crystallography Open Database

Information card for entry 7710516

Preview

Coordinates	7710516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H48 D6 F3 O4 P S Si3
Calculated formula	C41 H48 D6 F3 O4 P S Si3
SMILES	[P+](O[Si]1(C(=C(C(=C1[Si](C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C)c1ccccc1)(CC)(CC)CC.S(=O)(=O)([O-])C(F)(F)F.c1([2H])c([2H])c([2H])c([2H])c([2H])c1[2H]
Title of publication	Covalent triflates as synthons for silolyl- and germolyl cations
Authors of publication	Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.0788 ± 0.0005 Å
b	20.44 ± 0.001 Å
c	20.8154 ± 0.0009 Å
α	113.086 ± 0.002°
β	90.17 ± 0.002°
γ	92.016 ± 0.003°
Cell volume	4332.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.1972
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276073 (current)	2022-06-17	cif/ Adding structures of 7710509, 7710510, 7710511, 7710512, 7710513, 7710514, 7710515, 7710516, 7710517, 7710518, 7710519, 7710520 via cif-deposit CGI script.	7710516.cif