Crystallography Open Database

Information card for entry 4111258

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Structure parameters

Formula	C16 H40 Se Si5
Calculated formula	C16 H40 Se Si5
SMILES	[Se]=[Si]1C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds
Authors of publication	Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16914 - 16920
a	11.416 ± 0.003 Å
b	15.906 ± 0.004 Å
c	14.489 ± 0.004 Å
α	90°
β	108.73 ± 0.003°
γ	90°
Cell volume	2491.6 ± 1.1 Å³
Cell temperature	150.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4111258.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111258.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111258.cif
60783	2012-06-18	cif/ Adding structures of 4111258 via cif-deposit CGI script.	4111258.cif