Crystallography Open Database

Information card for entry 1575675

Preview

Coordinates	1575675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 B I3 S
Calculated formula	C4 H10 B I3 S
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	7.2744 ± 0.0004 Å
b	8.7817 ± 0.0004 Å
c	8.9556 ± 0.0005 Å
α	85.843 ± 0.004°
β	85.31 ± 0.004°
γ	85.904 ± 0.004°
Cell volume	567.45 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	1575675.cif