Crystallography Open Database

Information card for entry 1567437

Preview

Coordinates	1567437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2 S2 Si
Calculated formula	C22 H18 N2 S2 Si
SMILES	c12cccc[n]1[Si]1(c3ccccc3)(S2)(c2ccccc2)[n]2c(cccc2)S1
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	10.9877 ± 0.0005 Å
b	19.5766 ± 0.0009 Å
c	9.7361 ± 0.0005 Å
α	90°
β	97.501 ± 0.004°
γ	90°
Cell volume	2076.33 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	1567437.cif