Information card for entry 7113380

Structure parameters

• Common name: Dicyclopentapdienylo(phenyldimethylphosphane)(eta$1!-di-tert- butylphosphanylphosphinidene)zirconium
• Chemical name: Dicyclopentapdienylo(phenyldimethylphosphane)(η^1^- di-tert-butylphosphanylphosphinidene)zirconium
• Formula: C26 H39 P3 Zr
• Calculated formula: C26 H39 P3 Zr
• SMILES: [Zr]12345678(=PP(C(C)(C)C)C(C)(C)C)([P](C)(C)c9ccccc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: A new synthetic entry to phosphinophosphinidene complexes. Synthesis and structural characterisation of the first side-on bonded and the first terminally bonded phosphinophosphinidene zirconium complexes [mu-(1,2:2-eta-tBu2P=P)[Zr(Cl)Cp2]2] and [[Zr(PPhMe2)Cp2](eta1)-P-PtBu2)].
• Authors of publication: Pikies, Jerzy; Baum, Elke; Matern, Eberhard; Chojnacki, Jaroslaw; Grubba, Rafal; Robaszkiewicz, Andrzej
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2478 - 2479
• a: 9.312 ± 0.002 Å
• b: 11.574 ± 0.002 Å
• c: 25.22 ± 0.005 Å
• α: 78.91 ± 0.03°
• β: 87.11 ± 0.03°
• γ: 85.26 ± 0.03°
• Cell volume: 2656.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1659
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2533
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No