Crystallography Open Database

Information card for entry 1567436

Preview

Coordinates	1567436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2 S2 Si
Calculated formula	C22 H18 N2 S2 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	12.3581 ± 0.0004 Å
b	12.704 ± 0.0004 Å
c	12.5693 ± 0.0004 Å
α	90°
β	90.262 ± 0.002°
γ	90°
Cell volume	1973.33 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1567436.cif