Information card for entry 1558272

Structure parameters

• Formula: C31.51 H58.93 N2 O4 Zr
• Calculated formula: C31.522 H58.94 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: 9.0808 ± 0.0008 Å
• b: 9.9464 ± 0.0008 Å
• c: 21.5037 ± 0.0018 Å
• α: 93.147 ± 0.003°
• β: 91.175 ± 0.003°
• γ: 115.995 ± 0.002°
• Cell volume: 1741 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No