Information card for entry 4077072

Structure parameters

• Formula: C21 H16 Fe N2 O3
• Calculated formula: C21 H16 Fe N2 O3
• SMILES: [Fe]12([N](N=C[CH]2=[CH]1c1ccccc1)=C/C=C/c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds
• Authors of publication: Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5366
• a: 6.984 ± 0.001 Å
• b: 22.873 ± 0.001 Å
• c: 23.788 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3800 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No