Crystallography Open Database

Information card for entry 4115557

Preview

Coordinates	4115557.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	11b
Chemical name	(N-(dimethylamino)formimidato-N,O) (1-((1,1-dimethyl-2-formylhydrazonium)methyl-C,O)methylsilicon(IV) chloride
Formula	C9 H20 Cl4 N4 O2 Si
Calculated formula	C9 H20 Cl4 N4 O2 Si
SMILES	[Si]12(C)(C[N+](C)(C)N=CO1)[N](C)(C)N=CO2.C(Cl)(Cl)Cl.[Cl-]
Title of publication	Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons
Authors of publication	Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	4709 - 4716
a	6.1313 ± 0.0011 Å
b	21.369 ± 0.004 Å
c	6.79 ± 0.0012 Å
α	90°
β	98.496 ± 0.004°
γ	90°
Cell volume	879.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2323
Weighted residual factors for all reflections included in the refinement	0.2364
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
178926 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/55.	4115557.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115557.cif
69112	2012-12-02	cif/ Adding structures of 4115557 via cif-deposit CGI script.	4115557.cif