Information card for entry 4088641

Structure parameters

• Formula: C28 H27 B Fe2 Si
• Calculated formula: C28 H27 B Fe2 Si
• SMILES: [Fe]12345678([cH]9[cH]1[cH]4[cH]2[cH]39)[cH]1[c]25B([c]34[Fe]59%10%11%12%13%14([cH]%15[cH]%10[cH]5[cH]9[cH]%11%15)[c]3([Si](C)(C)[c]72[cH]8[cH]61)[cH]%12[cH]%13[cH]4%14)c1ccccc1
• 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: 9.0969 ± 0.0002 Å
• b: 7.333 ± 0.0001 Å
• c: 17.4165 ± 0.0003 Å
• α: 90°
• β: 93.957 ± 0.001°
• γ: 90°
• Cell volume: 1159.04 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No