Information card for entry 4075948

Structure parameters

• Formula: C28 H26 Cl P Zr
• Calculated formula: C28 H26 Cl P Zr
• SMILES: [Zr]12345678(Cl)(/C(=C(\C#CC)P(c9ccccc9)c9ccccc9)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines
• Authors of publication: Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4742
• a: 7.732 ± 0.001 Å
• b: 18.38 ± 0.001 Å
• c: 33.917 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4820.1 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No