Information card for entry 7041937

Structure parameters

• Formula: C52 H86 N4 O4 Ti Zn
• Calculated formula: C52 H86 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: 15.53237 ± 0.00014 Å
• b: 19.46458 ± 0.00016 Å
• c: 17.75532 ± 0.00016 Å
• α: 90°
• β: 102.006 ± 0.0009°
• γ: 90°
• Cell volume: 5250.56 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No