Information card for entry 7040946

Structure parameters

• Formula: C76 H80 N4 O19 Ti4
• Calculated formula: C76 H80 N4 O19 Ti4
• Title of publication: Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.
• Authors of publication: Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17729 - 17738
• a: 13.862 ± 0.0005 Å
• b: 13.862 ± 0.0005 Å
• c: 23.4683 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4509.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No