Information card for entry 7060320

Structure parameters

• Formula: C31 H31 B N2 Sn
• Calculated formula: C31 H31 B N2 Sn
• SMILES: c1(c(cccc1)CNCc1cc[n]([BH3])cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands
• Authors of publication: Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3817 - 3827
• a: 14.6278 ± 0.0017 Å
• b: 13.3165 ± 0.0015 Å
• c: 14.9311 ± 0.0017 Å
• α: 90°
• β: 111.563 ± 0.002°
• γ: 90°
• Cell volume: 2704.9 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No