Crystallography Open Database

Information card for entry 4083973

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Coordinates	4083973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H114 O5 Sn2
Calculated formula	C87 H114 O5 Sn2
Title of publication	Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes
Authors of publication	Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	14
Pages of publication	3904
a	22.6668 ± 0.0007 Å
b	13.2199 ± 0.0004 Å
c	27.3227 ± 0.0008 Å
α	90°
β	98.083 ± 0.001°
γ	90°
Cell volume	8106 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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