Information card for entry 7126519

Structure parameters

• Formula: C78 H54 Cl N9 Sn3
• Calculated formula: C78 H54 Cl N9 Sn3
• SMILES: c1cccc2c3c(c4ccccc4)c(c4ccccc4)c4c5cccc[n]5[Sn]([n]12)(n34)[Sn]12([n]3ccccc3c3c(c4ccccc4)c(c4ccccc4)c(c4cccc[n]24)n13)[Sn]12[n]3ccccc3c3c(c4ccccc4)c(c4ccccc4)c(c4cccc[n]24)n13.[Cl-]
• 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: 14.4606 ± 0.0016 Å
• b: 15.1842 ± 0.0016 Å
• c: 19.5168 ± 0.0018 Å
• α: 94.697 ± 0.002°
• β: 98.687 ± 0.003°
• γ: 92.921 ± 0.003°
• Cell volume: 4213.2 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No