Information card for entry 4332388

Structure parameters

• Formula: C100 H124 Cl4 Fe8 O3 P8 Pd4
• Calculated formula: C88 H100 Cl4 Fe8 P8 Pd4
• SMILES: [Pd](Cl)([PH]([Pd](Cl)([PH2]C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)[PH](C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)[Pd](Cl)([PH]([Pd]1(Cl)[PH2]C[c]23[cH]4[Fe]56789%103([cH]2[cH]%10[cH]45)[cH]2[cH]6[cH]7[cH]8[cH]92)C[c]23[Fe]456789%10([cH]3[cH]%10[cH]4[cH]25)[cH]2[cH]6[cH]7[cH]8[cH]92)[PH2]C[c]23[Fe]456789%10([cH]3[cH]%10[cH]4[cH]25)[cH]2[cH]9[cH]8[cH]7[cH]62)C[c]23[Fe]456789%10([cH]3[cH]5[cH]6[cH]27)[cH]2[cH]4[cH]%10[cH]9[cH]82)([PH]1C[c]12[Fe]3456789([cH]2[cH]4[cH]5[cH]16)[cH]1[cH]7[cH]8[cH]9[cH]31)[PH2]C[c]12[cH]3[Fe]4567892([cH]3[cH]5[cH]16)[cH]1[cH]4[cH]9[cH]8[cH]71
• Title of publication: Reactivity of (Ferrocenylmethyl)phosphine toward Palladium and Platinum Chlorides. X-ray Structure of [Pd(PH2CH2Fc)Cl(μ-PHCH2Fc)]4(Fc = Ferrocenyl), a Unique Complex Containing a Pd4P4Cycle
• Authors of publication: Dell'Anna, Maria Michela; Englert, Ulli; Latronico, Mario; Luis, Pablo Lorenzo; Mastrorilli, Piero; Papa, Daniela Giardina; Nobile, Cosimo Francesco; Peruzzini, Maurizio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6892 - 6900
• a: 17.607 ± 0.007 Å
• b: 17.944 ± 0.007 Å
• c: 18.792 ± 0.007 Å
• α: 107.12 ± 0.012°
• β: 96.344 ± 0.013°
• γ: 117.087 ± 0.015°
• Cell volume: 4839 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1669
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.2544
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No