Information card for entry 7024848

Structure parameters

• Formula: C48 H38 Fe O4 Sn2
• Calculated formula: C48 H38 Fe O4 Sn2
• SMILES: [Sn]1(OC(=[O]1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[c]91C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.1735 ± 0.0014 Å
• b: 10.3222 ± 0.0009 Å
• c: 25.823 ± 0.002 Å
• α: 90°
• β: 100.455 ± 0.002°
• γ: 90°
• Cell volume: 3977.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No