Information card for entry 1558271

Structure parameters

• Formula: C39 H57.63 Fe N2 O4 Zr
• Calculated formula: C39 H57.623 Fe N2 O4 Zr
• Title of publication: Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts
• Authors of publication: Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 6501 - 6510
• a: 22.8642 ± 0.0012 Å
• b: 9.1582 ± 0.0005 Å
• c: 19.4463 ± 0.001 Å
• α: 90°
• β: 106.447 ± 0.001°
• γ: 90°
• Cell volume: 3905.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No