Information card for entry 7014662

Structure parameters

• Common name: Bis(mu-(bi(diethylamino)phosphinephosphinideno)-bis- cyclopentadienylo zirconium(IV))
• Chemical name: Bis[μ-{bi(diethylamino)phosphinephosphinideno}-bis-cyclopentadienylo zirconium(IV)]
• Formula: C36 H60 N4 P4 Zr2
• Calculated formula: C36 H60 N4 P4 Zr2
• SMILES: C(C)N(CC)P(N(CC)CC)[P]1[Zr]23456789([cH]%10[cH]5[cH]4[cH]3[cH]2%10)([cH]2[cH]6[cH]7[cH]8[cH]92)[P](P(N(CC)CC)N(CC)CC)[Zr]234567891([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 8.309 ± 0.002 Å
• b: 12.521 ± 0.003 Å
• c: 19.225 ± 0.006 Å
• α: 90°
• β: 105.17 ± 0.03°
• γ: 90°
• Cell volume: 1930.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1477
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No