Crystallography Open Database

Information card for entry 7026400

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Structure parameters

Formula	C26 H38 F2 N4 Si
Calculated formula	C26 H38 F2 N4 Si
SMILES	C1(c2ccccc2)=[N](C(C)C)[Si]2([N](C(C)C)=C(c3ccccc3)N2C(C)C)(F)(F)N1C(C)C
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	8.181 ± 0.0007 Å
b	16.441 ± 0.0013 Å
c	9.7818 ± 0.0008 Å
α	90°
β	102.801 ± 0.004°
γ	90°
Cell volume	1282.99 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
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.	7026400.cif
179970	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.	7026400.cif
93489	2014-01-13	cif/ Adding structures of 7026399, 7026400, 7026401, 7026402, 7026403, 7026404, 7026405, 7026406, 7026407 via cif-deposit CGI script.	7026400.cif