Information card for entry 4077076

Structure parameters

• Formula: C14 H12 Fe2 N2 O6
• Calculated formula: C14 H12 Fe2 N2 O6
• SMILES: [Fe]12([N]3[N]([Fe]4([CH](C)=[CH]4C=3)(C#[O])(C#[O])C#[O])=C[CH]1=[CH]2C)(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: 10.821 ± 0.001 Å
• b: 12.681 ± 0.001 Å
• c: 12.716 ± 0.001 Å
• α: 90°
• β: 96.262 ± 0.001°
• γ: 90°
• Cell volume: 1734.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No