Information card for entry 4083970

Structure parameters

• Formula: C58 H56 Sn2
• Calculated formula: C58 H56 Sn2
• SMILES: c12cccc3c1c(ccc3)[Sn]([Sn]2c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 14.4863 ± 0.0005 Å
• b: 29.3901 ± 0.001 Å
• c: 11.3016 ± 0.0004 Å
• α: 90°
• β: 94.366 ± 0.002°
• γ: 90°
• Cell volume: 4797.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No