Information card for entry 7113177

Structure parameters

• Common name: 5
• Formula: C60 H76 Sn2
• Calculated formula: C60 H76 Sn2
• SMILES: c1(cccc(c1c1c([Sn]2[H][Sn](c3c(cccc3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[H]2)c(ccc1)c1c(cccc1C(C)C)C(C)C)C(C)C)C(C)C
• Title of publication: Convergent syntheses of [Sn7{C6H3-2,6-(C6H3-2,6-iPr2)2}2]: a cluster with a rare pentagonal bipyramidal motif
• Authors of publication: Rivard, Eric; Steiner, Jochen; Fettinger, James C.; Giuliani, Jason R.; Augustine, Matthew P.; Power, Philip P.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 4919 - 4921
• a: 9.2996 ± 0.0016 Å
• b: 12.814 ± 0.002 Å
• c: 12.938 ± 0.002 Å
• α: 110.141 ± 0.003°
• β: 98.399 ± 0.003°
• γ: 110.94 ± 0.003°
• Cell volume: 1286.6 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102300
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No