Crystallography Open Database

Information card for entry 7117084

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Structure parameters

Chemical name	1,2-bis(indol-2-yl)benzene dimethylsilyl complex
Formula	C25 H21 Cl3 N2 Si
Calculated formula	C25 H21 Cl3 N2 Si
SMILES	c12ccccc1cc1c3ccccc3c3cc4c(cccc4)n3[Si](C)(C)n21.C(Cl)(Cl)Cl
Title of publication	Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state
Authors of publication	Takayuki Tanaka; Atsuhiro Osuka
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	8123
a	10.681 ± 0.0019 Å
b	19.442 ± 0.004 Å
c	11.152 ± 0.002 Å
α	90°
β	101.368 ± 0.004°
γ	90°
Cell volume	2270.4 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.029
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7117084.cif
180284	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70.	7117084.cif
135440	2015-04-30	cif/ Adding structures of 7117084, 7117085, 7117086, 7117087 via cif-deposit CGI script.	7117084.cif