Information card for entry 7014663

Structure parameters

• Common name: ((Bis- diethylaminophosphanyl)(trimethylsilyl)phosphide)(chlorido) (bis- cyclopentadienylo) hafnium(IV)
• Chemical name: {(Bis-diethylaminophosphanyl)(trimethylsilyl)phosphide}(chlorido) (bis-cyclopentadienylo) hafnium(IV)
• Formula: C21 H39 Cl Hf N2 P2 Si
• Calculated formula: C21 H39 Cl Hf N2 P2 Si
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Hf]16782345([cH]2[cH]1[cH]6[cH]7[cH]82)(P([Si](C)(C)C)P(N(CC)CC)N(CC)CC)Cl
• Title of publication: Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [Cp(2)Hf(Cl){η(1)-(Me(3)Si)P-P(NEt(2))(2)}] and the first zirconocene-phosphanylphosphinidene dimer [Cp(2)Zr{μ(2)-P-P(NEt(2))(2)}(2)ZrCp(2)].
• Authors of publication: Grubba, Rafał; Wiśniewska, Aleksandra; Baranowska, Katarzyna; Matern, Eberhard; Pikies, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 2017 - 2024
• a: 11.0239 ± 0.0017 Å
• b: 15.008 ± 0.002 Å
• c: 16.892 ± 0.003 Å
• α: 71.665 ± 0.014°
• β: 78.786 ± 0.013°
• γ: 81.294 ± 0.013°
• Cell volume: 2590 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1372
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No