Information card for entry 7032911

Structure parameters

• Formula: C68 H92 N10 O3 Zr
• Calculated formula: C68 H92 N10 O3 Zr
• Title of publication: Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization.
• Authors of publication: Chuang, Hui-Ju; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 598 - 607
• a: 15.3623 ± 0.0006 Å
• b: 16.4184 ± 0.0007 Å
• c: 16.5697 ± 0.0007 Å
• α: 102.383 ± 0.004°
• β: 113.997 ± 0.004°
• γ: 109.584 ± 0.004°
• Cell volume: 3284.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No