Information card for entry 4333015

Structure parameters

• Formula: C28 H21 Fe O4 P W
• Calculated formula: C28 H21 Fe O4 P W
• SMILES: [W]12([P]([c]34[cH]5[Fe]6789%10%113([c]4([cH]7[cH]56)[CH]1=[CH2]2)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines
• Authors of publication: Štěpnička, Petr; Císařová, Ivana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8785 - 8798
• a: 10.017 ± 0.0001 Å
• b: 11.4879 ± 0.0002 Å
• c: 21.2688 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2447.49 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No