Crystallography Open Database

Information card for entry 7710520

Preview

Coordinates	7710520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45 F3 N2 O3 S Si3
Calculated formula	C36 H45 F3 N2 O3 S Si3
SMILES	S(=O)(=O)([O-])C(F)(F)F.[Si]1(C(=C(C(=C1[Si](C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C)(c1ccccc1)=C1N(C(=C(N1C)C)C)C
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	23.7374 ± 0.0019 Å
b	10.6333 ± 0.0008 Å
c	32.035 ± 0.003 Å
α	90°
β	111.229 ± 0.003°
γ	90°
Cell volume	7537.2 ± 1.1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0653
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
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.	7710520.cif