Information card for entry 7103435

Structure parameters

• Formula: C26 H26 N Ni O5 P S
• Calculated formula: C26 H26 N Ni O5 P S
• SMILES: [Ni]1([P](c2c(S(=O)(=O)O1)cccc2)(c1c(OC)cccc1)c1ccccc1OC)([n]1ccccc1)C
• Title of publication: Control of molecular weight in Ni(II)-catalyzed polymerization via the reaction medium.
• Authors of publication: Guironnet, Damien; Rünzi, Thomas; Göttker-Schnetmann, Inigo; Mecking, Stefan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 40
• Pages of publication: 4965 - 4967
• a: 11.474 ± 0.0007 Å
• b: 13.8165 ± 0.0006 Å
• c: 16.0318 ± 0.001 Å
• α: 90°
• β: 98.617 ± 0.005°
• γ: 90°
• Cell volume: 2512.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No