Information card for entry 7013984

Structure parameters

• Formula: C20 H37 Hf P
• Calculated formula: C20 H37 Hf P
• SMILES: [Hf]12345678([P](CC)(CC)CC)([CH2]=[C]1([CH]2=[C]3(C4)C)C)[CH2]=[C]5([CH]6=[C]7(C8)C)C
• Title of publication: Syntheses and structural systematics of trialkylphosphine complexes of open titanocenes, zirconocenes and hafnocenes.
• Authors of publication: Harvey, Benjamin G.; Basta, Rehan; Arif, Atta M.; Ernst, Richard D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1221 - 1226
• a: 7.8898 ± 0.0003 Å
• b: 8.6491 ± 0.0003 Å
• c: 15.5788 ± 0.0003 Å
• α: 88.1613 ± 0.002°
• β: 76.1834 ± 0.0019°
• γ: 88.4466 ± 0.0015°
• Cell volume: 1031.59 ± 0.06 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0262
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No