Information card for entry 4315178

Structure parameters

• Formula: C37 H47 Cl3 N4 O2 Sn
• Calculated formula: C38 H46 Cl6 N4 O2 Sn
• SMILES: c12C=Cc3n4c(c(c3CC)CC)c3[n]5[Sn]64([n]2c(c(c1CC)CC)c1c(c(c(C=Cc5c(c3CC)CC)n61)CC)CC)([OH2])[OH2].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis of a Novel Sn(IV) Porphycene-Ferrocene Triad Linked by Axial Coordination and Solvent Polarity Effect in Photoinduced Charge Separation Process
• Authors of publication: Daisuke Maeda; Hisashi Shimakoshi; Masaaki Abe; Mamoru Fujitsuka; Testuro Majima; Yoshio Hisaeda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2872 - 2880
• a: 8.8308 ± 0.0014 Å
• b: 26.249 ± 0.004 Å
• c: 9.3713 ± 0.0014 Å
• α: 90°
• β: 109.558 ± 0.003°
• γ: 90°
• Cell volume: 2046.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No