Information card for entry 1519597

Structure parameters

• Formula: C40 H54 B2 Sn
• Calculated formula: C40 H54 B2 Sn
• SMILES: C[Sn](C)(CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
• Title of publication: C40H54B2Sn
• Authors of publication: Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 893
• a: 8.5152 ± 0.0009 Å
• b: 9.6458 ± 0.0003 Å
• c: 21.897 ± 0.005 Å
• α: 86.955 ± 0.006°
• β: 85.97 ± 0.02°
• γ: 84.691 ± 0.006°
• Cell volume: 1784.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.3258
• Weighted residual factors for all reflections included in the refinement: 0.3308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No