Information card for entry 4066543

Structure parameters

• Chemical name: [Zr(N3ArFN)(CH2SiMe3)]2
• Formula: C92 H88 F36 N8 O12 S6 Si2 Zr2
• Calculated formula: C92 H88 F36 N8 O12 S6 Si2 Zr2
• Title of publication: Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts
• Authors of publication: Schwarz, Andrew D.; Herbert, Katherine R.; Paniagua, Cristina; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4171
• a: 17.7133 ± 0.0002 Å
• b: 18.3479 ± 0.0002 Å
• c: 18.538 ± 0.0002 Å
• α: 64.3587 ± 0.0005°
• β: 88.4433 ± 0.0005°
• γ: 84.771 ± 0.0005°
• Cell volume: 5408.45 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No