Information card for entry 7024852

Structure parameters

• Formula: C60 H48 Fe N2 O4 Sn2
• Calculated formula: C60 H48 Fe N2 O4 Sn2
• SMILES: C(=O)(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[c]7([cH]82)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.n1ccc(/C=C/c2ccncc2)cc1
• Title of publication: Coordination polymers containing ferrocene backbone. Synthesis, structure and electrochemistry.
• Authors of publication: Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2684 - 2691
• a: 9.941 ± 0.005 Å
• b: 9.945 ± 0.005 Å
• c: 13.923 ± 0.005 Å
• α: 79.991 ± 0.005°
• β: 83.403 ± 0.005°
• γ: 67.877 ± 0.005°
• Cell volume: 1253.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No