Information card for entry 7126517

Structure parameters

• Formula: C28 H22 Cl N3 O0.5 Sn
• Calculated formula: C28 H22 Cl N3 O0.5 Sn
• SMILES: c1cccc2c3c(c4ccccc4)c(c4ccccc4)c4c5cccc[n]5[Sn](Cl)([n]12)n34.C1CCCO1
• Title of publication: Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.
• Authors of publication: Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 50
• Pages of publication: 6786 - 6789
• a: 24.7397 ± 0.0016 Å
• b: 11.8214 ± 0.0008 Å
• c: 17.2848 ± 0.0009 Å
• α: 90°
• β: 105.783 ± 0.002°
• γ: 90°
• Cell volume: 4864.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No