Information card for entry 7037123

Structure parameters

• Formula: C15 H11 Fe O5 P W
• Calculated formula: C15 H11 Fe O5 P W
• SMILES: [W]([PH2][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.
• Authors of publication: Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2208 - 2217
• a: 12.0167 ± 0.0001 Å
• b: 12.9896 ± 0.0001 Å
• c: 20.833 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3251.87 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No