Information card for entry 7016429

Structure parameters

• Formula: C24 H37 Cl N4 Ti
• Calculated formula: C24 H37 Cl N4 Ti
• SMILES: [Ti]1234(Cl)([N](Cc5c2ccc(c5)CN(C)C)(C3)C)[N](Cc2c4c(ccc2)C[N]1(C)C)(C)C
• Title of publication: Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.
• Authors of publication: Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8887 - 8895
• a: 8.1813 ± 0.0003 Å
• b: 19.5313 ± 0.0007 Å
• c: 15.4144 ± 0.0004 Å
• α: 90°
• β: 91.718 ± 0.001°
• γ: 90°
• Cell volume: 2461.98 ± 0.14 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: 0.0434
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No