Information card for entry 7037127

Structure parameters

• Formula: C33 H33 Cr Fe3 O3 P3
• Calculated formula: C33 H33 Cr Fe3 O3 P3
• SMILES: [O]#C[Cr]([PH2][c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([PH2][c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([PH2][c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)(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: 19.427 ± 0.0005 Å
• b: 19.427 ± 0.0005 Å
• c: 6.9808 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2281.64 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No