Information card for entry 4083969

Structure parameters

• Formula: C87 H110 O Sn2
• Calculated formula: C87 H110 O Sn2
• SMILES: c1(cccc2c1Oc1c(cccc1C2(C)C)[Sn]c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Sn]c1c(cccc1c1c(C(C)C)cc(cc1C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(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: 14.88 ± 0.002 Å
• b: 14.88 ± 0.002 Å
• c: 34.579 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7656 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No