Information card for entry 7006727

Structure parameters

• Formula: C89 H106 Hf2 N4 O8
• Calculated formula: C89 H106 Hf2 N4 O8
• Title of publication: Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.
• Authors of publication: Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 887 - 889
• a: 12.636 ± 0.0001 Å
• b: 12.726 ± 0.0001 Å
• c: 14.746 ± 0.0001 Å
• α: 97.35 ± 0.001°
• β: 96.44 ± 0.001°
• γ: 118.25 ± 0.001°
• Cell volume: 2030.76 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0714
• 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: Yes
• Has Fobs: No