Information card for entry 2008773

Structure parameters

• Chemical name: Hydroxotriphenyltin 2,6-di(2-benzimidazolyl)pyridine hydrate (1:1:1)
• Formula: C37 H31 N5 O2 Sn
• Calculated formula: C37 H31 N5 O2 Sn
• SMILES: [Sn](O)(c1ccccc1)(c1ccccc1)c1ccccc1.O.[nH]1c2ccccc2nc1c1nc(ccc1)c1nc2ccccc2[nH]1
• Title of publication: Hydroxotriphenyltin 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine hydrate
• Authors of publication: Lo, Kong Mun; Kumar Das, V.G.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1234 - 1236
• a: 12.248 ± 0.002 Å
• b: 14.377 ± 0.001 Å
• c: 19.15 ± 0.002 Å
• α: 90°
• β: 103.547 ± 0.011°
• γ: 90°
• Cell volume: 3278.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes