Information card for entry 7025940

Structure parameters

• Formula: C46 H36 Fe2 O4 P2 Rh2
• Calculated formula: C46 H36 Fe2 O4 P2 Rh2
• SMILES: C(#[O])[Rh]12[P]([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]8[cH]9[cH]%104)[O]1[Rh]1(C#[O])[P]([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]8[cH]9[cH]%104)[O]21)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Coordination chemistry with phosphine and phosphine oxide-substituted hydroxyferrocenes.
• Authors of publication: Atkinson, Robert C. J.; Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7540 - 7546
• a: 7.474 ± 0.001 Å
• b: 11.3952 ± 0.0016 Å
• c: 12.7781 ± 0.0019 Å
• α: 75.487 ± 0.012°
• β: 75.467 ± 0.013°
• γ: 77.507 ± 0.012°
• Cell volume: 1006.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No