Information card for entry 4080584

Structure parameters

• Formula: C20 H36 Sn2
• Calculated formula: C20 H36 Sn2
• SMILES: [C@]1(C(=C(C2=C1C(=C([C@@]2(C)[Sn](C)(C)C)C)C)C)C)([Sn](C)(C)C)C
• Title of publication: Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes
• Authors of publication: Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2228
• a: 7.1509 ± 0.0002 Å
• b: 8.5074 ± 0.0002 Å
• c: 9.7666 ± 0.0003 Å
• α: 78.6786 ± 0.0011°
• β: 77.2946 ± 0.0011°
• γ: 70.1342 ± 0.0011°
• Cell volume: 540.31 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No