Information card for entry 4068822

Structure parameters

• Formula: C41 H37 Cl2 Fe O15 P3 W3
• Calculated formula: C41 H37 Cl2 Fe O15 P3 W3
• SMILES: [W]([P]12[Fe]3456789([P]1([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[P]3([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[CH]4=[C]25c1ccccc1)[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].ClCCl
• 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: 11.4506 ± 0.0006 Å
• b: 12.8637 ± 0.0007 Å
• c: 18.9303 ± 0.0009 Å
• α: 78.287 ± 0.004°
• β: 78.727 ± 0.004°
• γ: 65.317 ± 0.005°
• Cell volume: 2461.6 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No