Information card for entry 7126518

Structure parameters

• Formula: C52 H36 N6 Sn
• Calculated formula: C52 H36 N6 Sn
• SMILES: c1cccc2c3c(c4ccccc4)c(c4ccccc4)c(c4ccccn4)n3[Sn]3([n]12)[n]1ccccc1c1c(c2ccccc2)c(c2ccccc2)c(c2ccccn2)n31
• 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: 39.999 ± 0.003 Å
• b: 13.8693 ± 0.0009 Å
• c: 18.718 ± 0.002 Å
• α: 90°
• β: 113.174 ± 0.003°
• γ: 90°
• Cell volume: 9546.1 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No