Information card for entry 4345522

Structure parameters

• Formula: C71 H82 O4 S2 Zr
• Calculated formula: C71 H82 O4 S2 Zr
• Title of publication: Stereorigid OSSO-Type Group 4 Metal Complexes in the Ring-Opening Polymerization of rac-Lactide.
• Authors of publication: Lapenta, Rosita; Buonerba, Antonio; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Milione, Stefano; Capacchione, Carmine
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3447 - 3458
• a: 12.2584 ± 0.0008 Å
• b: 13.0961 ± 0.0008 Å
• c: 20.339 ± 0.0013 Å
• α: 97.925 ± 0.003°
• β: 101.671 ± 0.003°
• γ: 98.39 ± 0.003°
• Cell volume: 3115.9 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No