Information card for entry 7007956

Structure parameters

• Common name: Complex 6b
• Formula: C34 H46 Cl3 N O2 Zr
• Calculated formula: C34 H46 Cl3 N O2 Zr
• SMILES: [Zr]1(Cl)(Cl)(Cl)(Oc2c(cccc2C(C)(C)C)C=[N]1c1c(C(C)C)cccc1C(C)C)[O]1CCCC1.c1(C)ccccc1
• Title of publication: The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.
• Authors of publication: Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 561 - 571
• a: 15.2 ± 0.003 Å
• b: 16.336 ± 0.003 Å
• c: 27.71 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6881 ± 2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No