Crystallography Open Database

Information card for entry 7718304

Preview

Coordinates	7718304.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,4-Di(tert-butyl)-1,4-diazabut-2-ene-1,4-diyl][1,4-di(iso-propyl)tetraaz-2-ene-1,4-diyl]silane
Chemical name	6,9-Di-tert-butyl-1,4-di(iso-propyl)-1,2,3,4,6,9-hexaaza-5-silaspiro[4.4]nona-2,7-diene
Formula	C16 H34 N6 Si
Calculated formula	C16 H34 N6 Si
Title of publication	Synthesis, characterization, and thermal properties of volatile 1,4-dialkyl-5-silatetrazolines: nitrogen-rich silicon heterocycles as possible CVD precursors for silicon nitride.
Authors of publication	Flores, Vincent J.; Girolami, Gregory S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	23
Pages of publication	9399 - 9404
a	8.9917 ± 0.0004 Å
b	10.0564 ± 0.0004 Å
c	11.0337 ± 0.0004 Å
α	93.0697 ± 0.0015°
β	97.2334 ± 0.0017°
γ	90.9204 ± 0.0016°
Cell volume	988.09 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
300950 (current)	2025-07-06	cif/ Updating files of 7718302, 7718303, 7718304 Original log message: Adding full bibliography for 7718302--7718304.cif.	7718304.cif
298417	2025-03-13	cif/ Adding structures of 7718302, 7718303, 7718304 via cif-deposit CGI script.	7718304.cif