Crystallography Open Database

Information card for entry 7026405

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Structure parameters

Formula	C35.5 H46 N4 S2 Si
Calculated formula	C35.5 H46 N4 S2 Si
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	12.2763 ± 0.0013 Å
b	20.044 ± 0.002 Å
c	14.0228 ± 0.0019 Å
α	90°
β	90.261 ± 0.015°
γ	90°
Cell volume	3450.5 ± 0.7 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	0.0605
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026405.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026405.cif
93489	2014-01-13	cif/ Adding structures of 7026399, 7026400, 7026401, 7026402, 7026403, 7026404, 7026405, 7026406, 7026407 via cif-deposit CGI script.	7026405.cif