Crystallography Open Database

Information card for entry 1575679

Preview

Coordinates	1575679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 B Cl0.97 I5.03 N Si
Calculated formula	C8 H20 B Cl0.9725 I5.0275 N 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	12.2698 ± 0.0004 Å
b	12.935 ± 0.0005 Å
c	13.0533 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2071.69 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	1575679.cif