Information card for entry 7041936

Structure parameters

• Formula: C42 H72 N4 O4 Ti Zn
• Calculated formula: C42 H72 N4 O4 Ti Zn
• Title of publication: Heterodinuclear titanium/zinc catalysis: synthesis, characterization and activity for CO2/epoxide copolymerization and cyclic ester polymerization.
• Authors of publication: Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2532 - 2541
• a: 12.0895 ± 0.0005 Å
• b: 13.3126 ± 0.0005 Å
• c: 14.0794 ± 0.0006 Å
• α: 82.118 ± 0.003°
• β: 73.055 ± 0.004°
• γ: 85.369 ± 0.003°
• Cell volume: 2145.13 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No