Information card for entry 7006546

Structure parameters

• Common name: Complex 7
• Formula: C46.67 H47.33 Ca F10 N2 O4
• Calculated formula: C45.94 H42 Ca F10 N2 O4
• 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: 28.728 ± 0.004 Å
• b: 28.728 ± 0.004 Å
• c: 13.871 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9914 ± 3 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No