Information card for entry 4122329

Structure parameters

• Formula: C58 H82 B2 N4 Sn
• Calculated formula: C58 H82 B2 N4 Sn
• SMILES: [Sn]1(B2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)(B2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)CC(=C(C1)C)C
• Title of publication: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.
• Authors of publication: Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10902 - 10905
• a: 15.11301 ± 0.00014 Å
• b: 18.55311 ± 0.00017 Å
• c: 19.57819 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5489.59 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for all reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0217
• Weighted residual factors for all reflections included in the refinement: 0.0216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No