Crystallography Open Database

Information card for entry 7026404

Preview

Coordinates	7026404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 N6 S2 Si
Calculated formula	C28 H38 N6 S2 Si
SMILES	C1(c2ccccc2)=[N](C(C)C)[Si]2([N](C(C)C)=C(c3ccccc3)N2C(C)C)(N1C(C)C)(N=C=S)N=C=S
Title of publication	Novel neutral hexacoordinate silicon(IV) complexes with two bidentate monoanionic benzamidinato ligands.
Authors of publication	Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	39
Pages of publication	9401 - 9413
a	12.6263 ± 0.0011 Å
b	15.6704 ± 0.0017 Å
c	15.342 ± 0.0013 Å
α	90°
β	91.051 ± 0.011°
γ	90°
Cell volume	3035 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0649
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179970 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/64.	7026404.cif
93489	2014-01-13	cif/ Adding structures of 7026399, 7026400, 7026401, 7026402, 7026403, 7026404, 7026405, 7026406, 7026407 via cif-deposit CGI script.	7026404.cif