Information card for entry 7041177

Structure parameters

• Common name: Compound 7
• Chemical name: Compound 7
• Formula: C68 H88 F24 N2 O6 Sn2
• Calculated formula: C68 H88 F24 N2 O6 Sn2
• SMILES: c12c(cccc2)C(C(F)(F)F)(C(F)(F)F)O[Sn]21(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)[Sn]12(c3ccccc3C(C(F)(F)F)(C(F)(F)F)O1)OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC.O.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• Title of publication: The synthesis and structure of a dianionic species with a bond between pentacoordinated tin atoms: bonding properties of the tin-tin bond.
• Authors of publication: Tsukada, Satoru; O'Brien, Nathan J; Kano, Naokazu; Kawashima, Takayuki; Guo, Jing-Dong; Nagase, Shigeru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19374 - 19379
• a: 20.2864 ± 0.0003 Å
• b: 20.2864 ± 0.0003 Å
• c: 36.4947 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15019 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2323
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No