Crystallography Open Database

Information card for entry 1568745

Preview

Coordinates	1568745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H117 B Cl2 N2 Si3
Calculated formula	C79 H117 B Cl2 N2 Si3
Title of publication	A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.
Authors of publication	Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	19
Pages of publication	5148 - 5159
a	10.726 ± 0.003 Å
b	30.19 ± 0.009 Å
c	24.137 ± 0.008 Å
α	90°
β	98.286 ± 0.005°
γ	90°
Cell volume	7734 ± 4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1046
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284214 (current)	2023-06-05	cif/ Updating files of 1568738, 1568739, 1568740, 1568741, 1568742, 1568743, 1568744, 1568745, 1568746, 1568747, 1568748, 1568749 Original log message: Adding full bibliography for 1568738--1568749.cif.	1568745.cif
282161	2023-04-01	cif/ Adding structures of 1568738, 1568739, 1568740, 1568741, 1568742, 1568743, 1568744, 1568745, 1568746, 1568747, 1568748, 1568749 via cif-deposit CGI script.	1568745.cif