Information card for entry 7024849

Structure parameters

• Formula: C60 H56 Fe N2 O6 Sn2
• Calculated formula: C60 H52 Fe N2 O6 Sn2
• SMILES: c1(ccccc1)[Sn](OC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2(C(=O)O[Sn](c3ccccc3)([n]3ccc(C)cc3)(c3ccccc3)c3ccccc3)[cH]1[cH]6[cH]7[cH]82)(c1ccccc1)(c1ccccc1)[n]1ccc(C)cc1.O.O
• 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: 10.111 ± 0.005 Å
• b: 10.333 ± 0.005 Å
• c: 13.756 ± 0.005 Å
• α: 79.132 ± 0.005°
• β: 82.046 ± 0.005°
• γ: 65.732 ± 0.005°
• Cell volume: 1283.7 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No