Crystallography Open Database

Information card for entry 4117838

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Coordinates	4117838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 S2 Si
Calculated formula	C48 H50 S2 Si
SMILES	S([Si]Sc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Isolation of a Stable, Acyclic, Two-Coordinate Silylene
Authors of publication	Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6504 - 6507
a	13.3874 ± 0.0007 Å
b	18.7441 ± 0.001 Å
c	15.9982 ± 0.0008 Å
α	90°
β	95.207 ± 0.001°
γ	90°
Cell volume	3997.9 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0438
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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