Crystallography Open Database

Information card for entry 1567430

Preview

Coordinates	1567430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H13 N O Si
Calculated formula	C8 H13 N O Si
Title of publication	Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution
Authors of publication	Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg
Journal of publication	Crystals
Year of publication	2022
Journal volume	12
Journal issue	8
Pages of publication	1054
a	11.6876 ± 0.001 Å
b	24.898 ± 0.003 Å
c	13.833 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4025.4 ± 0.8 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
277147 (current)	2022-08-06	cif/ Adding structures of 1567430, 1567431, 1567432, 1567433, 1567434, 1567435, 1567436, 1567437, 1567438 via cif-deposit CGI script.	1567430.cif