Information card for entry 4348079

Structure parameters

• Formula: C17 H23 Bi Fe O6
• Calculated formula: C17 H23 Bi Fe O6
• SMILES: [Fe]1234([Bi]56([O]=C(O5)C(C)(C)C)OC(=[O]6)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Molecular Design for Tailoring a Single-Source Precursor for Bismuth Ferrite.
• Authors of publication: Bendt, Georg; Schiwon, Rafael; Salamon, Soma; Landers, Joachim; Hagemann, Ulrich; Limberg, Christian; Wende, Heiko; Schulz, Stephan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7542 - 7549
• a: 10.3462 ± 0.0007 Å
• b: 12.8993 ± 0.0008 Å
• c: 14.8176 ± 0.0009 Å
• α: 90°
• β: 95.431 ± 0.002°
• γ: 90°
• Cell volume: 1968.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No