Crystallography Open Database

Information card for entry 4120455

4120454 << 4120455 >> 4120456

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Coordinates	4120455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C145 H180 S4 Si2
Calculated formula	C145 H180 S4 Si2
Title of publication	Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.
Authors of publication	Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	2
Pages of publication	634 - 637
a	25.6178 ± 0.0013 Å
b	19.6472 ± 0.001 Å
c	25.9073 ± 0.0015 Å
α	90°
β	105.802 ± 0.002°
γ	90°
Cell volume	12546.8 ± 1.2 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	0.0463
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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