Crystallography Open Database

Information card for entry 4129014

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Coordinates	4129014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H140 B2 N8 O Si4
Calculated formula	C112 H140 B2 N8 O Si4
Title of publication	A Stable Aromatic Tetrasilacyclobutadiene Dication.
Authors of publication	Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	38
Pages of publication	14987 - 14990
a	23.2625 ± 0.0004 Å
b	17.5096 ± 0.0008 Å
c	24.5181 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	9986.6 ± 0.5 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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