Information card for entry 4315179

Structure parameters

• Formula: C58 H62 Fe2 N4 O4 Sn
• Calculated formula: C58 H62 Fe2 N4 O4 Sn
• SMILES: c1(c2c3c(c(c4[n]3[Sn]35(n2c(c1CC)C=Cc1c(c(c(c2c(c(c([n]32)=CC=4)CC)CC)n51)CC)CC)(OC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)OC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)CC)CC)CC
• 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: 14.203 ± 0.007 Å
• b: 7.38 ± 0.004 Å
• c: 23.318 ± 0.011 Å
• α: 90°
• β: 91.46 ± 0.009°
• γ: 90°
• Cell volume: 2443 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.3104
• Weighted residual factors for all reflections included in the refinement: 0.3164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No