Information card for entry 2300475

Structure parameters

• Chemical name: Aquachlorotriphenyltin(IV)‒2,2'-bipyridine (1/1)
• Formula: C28 H25 Cl N2 O Sn
• Calculated formula: C28 H25 Cl N2 O Sn
• SMILES: n1c(cccc1)c1ncccc1.c1(ccccc1)[Sn](c1ccccc1)(c1ccccc1)(Cl)[OH2]
• Title of publication: Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?
• Authors of publication: Tan, Seng Lim; Ng, Seik Weng
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1443 - 1444
• a: 15.5966 ± 0.0007 Å
• b: 16.1294 ± 0.0006 Å
• c: 20.4387 ± 0.0009 Å
• α: 90°
• β: 108.891 ± 0.005°
• γ: 90°
• Cell volume: 4864.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes