Information card for entry 4088640

Structure parameters

• Formula: C26 H34 B Fe2 P Sn
• Calculated formula: C26 H34 B Fe2 P Sn
• SMILES: [Sn]1([c]23[c]4([Fe]56789%102([cH]4[cH]6[cH]35)[cH]2[cH]7[cH]9[cH]%10[cH]82)[P]([BH3])(C(C)(C)C)[c]23[Fe]456789%10([cH]2[cH]6[cH]8[c]135)[cH]1[cH]7[cH]4[cH]%10[cH]91)(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: 12.1285 ± 0.0002 Å
• b: 13.3506 ± 0.0002 Å
• c: 15.4421 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2500.43 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No