Information card for entry 4088638

Structure parameters

• Formula: C36 H36 Fe2 O2 S2 Sn
• Calculated formula: C36 H36 Fe2 O2 S2 Sn
• SMILES: [Sn]([c]12[cH]3[Fe]4567891([cH]1[cH]5[cH]7[cH]4[cH]61)[cH]([cH]38)[c]29S(c1ccc(C)cc1)=O)([c]12[cH]3[Fe]4567891([cH]1[cH]9[cH]7[cH]4[cH]61)[cH]3[cH]5[c]28S(c1ccc(cc1)C)=O)(C)C
• Title of publication: Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties
• Authors of publication: Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1964
• a: 7.6712 ± 0.0002 Å
• b: 10.7861 ± 0.0002 Å
• c: 10.8306 ± 0.0002 Å
• α: 64.332 ± 0.001°
• β: 83.343 ± 0.001°
• γ: 77.207 ± 0.001°
• Cell volume: 787.46 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No