Information card for entry 4073784

Structure parameters

• Formula: C54 H48 Cl4 Fe2 O8 Sn2
• Calculated formula: C54 H48 Cl4 Fe2 O8 Sn2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3(C(=O)O[Sn]4([O]=C([c]56[cH]%10[cH]%11[cH]%12[cH]5[Fe]5%13%14%156%10%11%12[c]6(C(=O)O[Sn]%10([O]=C1O%10)(Cc1ccccc1)Cc1ccccc1)[cH]5[cH]%13[cH]%14[cH]%156)O4)(Cc1ccccc1)Cc1ccccc1)[cH]2[cH]7[cH]8[cH]93.ClCCl.C(Cl)Cl
• Title of publication: 1,1‘-Ferrocenedicarboxylate-Bridged Redox-Active Organotin and -tellurium-Containing 16-Membered Macrocycles: Synthesis, Structure, and Electrochemistry
• Authors of publication: Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5415
• a: 13.5963 ± 0.0016 Å
• b: 10.3361 ± 0.0012 Å
• c: 19.075 ± 0.002 Å
• α: 90°
• β: 105.662 ± 0.002°
• γ: 90°
• Cell volume: 2581.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No