Information card for entry 7004588

Structure parameters

• Formula: C93 H97 Cl3 Fe3 O P6 Pd3
• Calculated formula: C93 H97 Cl3 Fe3 O P6 Pd3
• SMILES: [Pd]1(Cl)([PH]([Pd](Cl)([PH]([Pd](Cl)([PH]1C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)CC.O
• Title of publication: Reactivity of mononuclear Pd(ii) and Pt(ii) complexes containing the primary phosphane (ferrocenylmethyl)phosphane towards metal chlorides and PPh3
• Authors of publication: Dell'Anna, Maria Michela; Mastrorilli, Piero; Nobile, Cosimo Francesco; Calmuschi-Cula, Beatrice; Englert, Ulli; Peruzzini, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 6005 - 6013
• a: 25.063 ± 0.006 Å
• b: 15.564 ± 0.004 Å
• c: 26.089 ± 0.005 Å
• α: 90°
• β: 120.017 ± 0.016°
• γ: 90°
• Cell volume: 8812 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No