Information card for entry 4065640

Structure parameters

• Chemical name: (E)-4-bromo-4'-(ethenylferrocenyl)biphenyl
• Formula: C24 H19 Br Fe
• Calculated formula: C24 H19 Br Fe
• SMILES: Brc1ccc(cc1)c1ccc(cc1)/C=C/[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: Ferrocenyl−Naphthalimide Donor−Acceptor Dyads with Aromatic Spacer Groups
• Authors of publication: McAdam, C. John; Robinson, Brian H.; Simpson, Jim; Tagg, Tei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2474
• a: 6.0896 ± 0.0002 Å
• b: 7.8142 ± 0.0002 Å
• c: 18.7986 ± 0.0006 Å
• α: 90°
• β: 95.268 ± 0.002°
• γ: 90°
• Cell volume: 890.76 ± 0.05 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No