Information card for entry 7024851

Structure parameters

• Formula: C62 H54 Cl2 Fe N2 O4 Sn2
• Calculated formula: C62 H54 Cl2 Fe N2 O4 Sn2
• SMILES: [Sn](OC(=O)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[c]91C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccc(CCCc2ccncc2)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 10.2811 ± 0.0009 Å
• b: 14.0206 ± 0.0012 Å
• c: 20.0124 ± 0.0017 Å
• α: 81.91 ± 0.002°
• β: 81.559 ± 0.002°
• γ: 72 ± 0.002°
• Cell volume: 2699.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No