Information card for entry 7126522

Structure parameters

• Formula: C82 H64 F6 N9 O P Sn3
• Calculated formula: C82 H64 F6 N9 O P 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.CCOCC.[P](F)(F)(F)(F)(F)[F-]
• 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: 22.9606 ± 0.0018 Å
• b: 20.1323 ± 0.0015 Å
• c: 17.3947 ± 0.0014 Å
• α: 90°
• β: 109.571 ± 0.002°
• γ: 90°
• Cell volume: 7576.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No