Crystallography Open Database

Information card for entry 1567435

Preview

Coordinates	1567435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2 S2 Si
Calculated formula	C22 H18 N2 S2 Si
SMILES	[S]1[Si]2([S]=c3[n]2cccc3)([n]2c=1cccc2)(c1ccccc1)c1ccccc1
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	9.4763 ± 0.0008 Å
b	10.2415 ± 0.0008 Å
c	11.1044 ± 0.0008 Å
α	96.698 ± 0.006°
β	114.442 ± 0.006°
γ	90.107 ± 0.006°
Cell volume	972.92 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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.	1567435.cif