Crystallography Open Database

Information card for entry 7710513

Preview

Coordinates	7710513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H51 F3 Ge N2 O3 S Si2
Calculated formula	C31 H51 F3 Ge N2 O3 S Si2
SMILES	[Ge]1(C([Si](C)(C)C)=C(C(=C1[Si](C)(C)C)C)C)(c1c(c(c(c(c1C)C)C)C)C)=C1N(C(=C(N1C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
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	12.5742 ± 0.0004 Å
b	18.7345 ± 0.0006 Å
c	30.6586 ± 0.001 Å
α	90°
β	93.066 ± 0.002°
γ	90°
Cell volume	7211.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7710513.cif