Information card for entry 7010449

Structure parameters

• Formula: C52 H66 Cl10 N2 P2 Si2 Zr2
• Calculated formula: C52 H66 Cl10 N2 P2 Si2 Zr2
• SMILES: C([P+](c1ccccc1)(N[Si](C)(C)C)c1ccccc1)c1ccc(cc1)C(C)(C)C.Cl[Zr]1(Cl)(Cl)(Cl)[Cl][Zr](Cl)(Cl)([Cl]1)(Cl)Cl.C(c1ccc(cc1)C(C)(C)C)[P+](N[Si](C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: The reactivity of trimethylsilyliminophosphines towards titanium and zirconium halides
• Authors of publication: Sarsfield, Mark J.; Said, Musa; Thornton-Pett, Mark; Gerrard, Lee A.; Bochmann, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 822
• a: 16.729 ± 0.003 Å
• b: 11.509 ± 0.002 Å
• c: 17.448 ± 0.004 Å
• α: 90°
• β: 98.13 ± 0.03°
• γ: 90°
• Cell volume: 3325.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections: 0.2193
• Weighted residual factors for significantly intense reflections: 0.1653
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No