Information card for entry 7006549

Structure parameters

• Common name: Complex 8
• Formula: C42 H72 N2 Na O6 Ti
• Calculated formula: C42 H72 N2 Na O6 Ti
• SMILES: [Ti]1234(Oc6c(C[N]1(CC[N]4(C)C)Cc1cc(cc(c1[O]3[Na]([O]2C(C)C)([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C)cc(cc6C(C)(C)C)C)OC(C)C
• Title of publication: Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.
• Authors of publication: Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 2
• Pages of publication: 340 - 350
• a: 22.4176 ± 0.0004 Å
• b: 15.6454 ± 0.0003 Å
• c: 29.5745 ± 0.0006 Å
• α: 90°
• β: 101.382 ± 0.0007°
• γ: 90°
• Cell volume: 10168.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.1458
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No