Crystallography Open Database

Information card for entry 1575678

Preview

Coordinates	1575678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 B I5 S Si
Calculated formula	C2 H6 B I5 S Si
Title of publication	Synthesis of Perhalogenated Silylboranes (X = Cl, I) and Their Application in Regiodivergent Alkene Silaboration
Authors of publication	Heller, Jan; Buch, Christoph D.; Virovets, Alexander; Peresypkina, Eugenia V.; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
Journal of publication	Chemical Science
Year of publication	2025
a	8.41865 ± 0.00016 Å
b	13.8073 ± 0.0003 Å
c	12.3034 ± 0.0002 Å
α	90°
β	91.499 ± 0.0018°
γ	90°
Cell volume	1429.64 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0352
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
302090 (current)	2025-09-11	cif/ Adding structures of 1575660, 1575661, 1575662, 1575663, 1575664, 1575665, 1575666, 1575667, 1575668, 1575669, 1575670, 1575671, 1575672, 1575673, 1575674, 1575675, 1575676, 1575677, 1575678, 1575679, 1575680 via cif-deposit CGI script.	1575678.cif