Information card for entry 4305199

Structure parameters

• Formula: C90 H68 N10 O4 Sn
• Calculated formula: C90 H68 N10 O4 Sn
• SMILES: c1c(ccc(C)c1)C1=c2n3[Sn]45(n6c(C(=c7[n]4c1cc7)c1ccc(C)cc1)ccc6C(=c1[n]5c(cc1)C(=c3cc2)c1ccc(C)cc1)c1ccc(C)cc1)(Oc1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1)Oc1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1.O.O
• Title of publication: Redox Control of Photoinduced Electron Transfer in Axial Terpyridoxy Porphyrin Complexes
• Authors of publication: Prashanth Kumar Poddutoori; Premaladha Poddutoori; Bhaskar G. Maiya; Thazhe Kootteri Prasad; Yuri E. Kandrashkin; Sergei Vasil'ev; Doug Bruce; Art van der Est
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7512 - 7522
• a: 11.2359 ± 0.0015 Å
• b: 11.8613 ± 0.0016 Å
• c: 14.222 ± 0.0019 Å
• α: 79.716 ± 0.002°
• β: 78.803 ± 0.002°
• γ: 65.364 ± 0.002°
• Cell volume: 1679.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No