Crystallography Open Database

Information card for entry 1543245

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Structure parameters

Formula	C14 H15 Cl2 N Si
Calculated formula	C14 H15 Cl2 N Si
SMILES	Cl[Si](Cl)(c1ccc(N(C)C)cc1)c1ccccc1
Title of publication	Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand
Authors of publication	Gerlach, Daniela; Brendler, Erica; Wagler, Jörg
Journal of publication	Inorganics
Year of publication	2016
Journal volume	4
Journal issue	2
Pages of publication	8
a	16.6233 ± 0.0011 Å
b	7.5451 ± 0.0003 Å
c	12.2941 ± 0.0008 Å
α	90°
β	110.965 ± 0.005°
γ	90°
Cell volume	1439.9 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543245.cif
182550	2016-05-04	cif/ Adding structures of 1543245 via cif-deposit CGI script.	1543245.cif