Crystallography Open Database

Information card for entry 4349414

Preview

Coordinates	4349414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 B I6 N Si
Calculated formula	C8 H20 B I6 N Si
SMILES	[Si]([B](I)(I)I)(I)(I)I.[N+](CC)(CC)(CC)CC
Title of publication	Trapping Experiments on a Trichlorosilanide Anion: a Key Intermediate of Halogenosilane Chemistry.
Authors of publication	Teichmann, Julian; Bursch, Markus; Köstler, Benedikt; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	15
Pages of publication	8683 - 8688
a	12.3344 ± 0.0005 Å
b	12.9838 ± 0.0006 Å
c	13.302 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2130.28 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0231
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
233964 (current)	2019-11-23	cif/ Adding structures of 4349414 via cif-deposit CGI script.	4349414.cif