Information card for entry 4068821

Structure parameters

• Formula: C35 H35 Fe O10 P3 W2
• Calculated formula: C35 H35 Fe O10 P3 W2
• SMILES: [W]([P]12[Fe]3456789([P]1([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[CH]5=[C]4(P23)c1ccccc1)[c]1([c]6([cH]7[c]8([cH]91)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Coordination Behavior of the 1,2,3-Triphosphaferrocene [Cp′′′Fe(η5-P3C2(H)Ph)] with Organometallic Moieties
• Authors of publication: Deng, Shining; Schwarzmaier, Christoph; Zabel, Manfred; Nixon, John F.; Timoshkin, Alexey Y.; Scheer, Manfred
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1075
• a: 32.8307 ± 0.0005 Å
• b: 11.56806 ± 0.00018 Å
• c: 21.515 ± 0.0003 Å
• α: 90°
• β: 107.986 ± 0.0017°
• γ: 90°
• Cell volume: 7771.8 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No