Information card for entry 7037129

Structure parameters

• Formula: C18 H14 Fe N O5 P W
• Calculated formula: C18 H14 Fe N O5 P W
• SMILES: [W]([PH]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)CCC#N)(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: 6.0768 ± 0.0001 Å
• b: 20.8259 ± 0.0003 Å
• c: 15.3377 ± 0.0003 Å
• α: 90°
• β: 98.149 ± 0.002°
• γ: 90°
• Cell volume: 1921.46 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No