Information card for entry 7106523

Structure parameters

• Formula: C35 H33 Ni O5 P S
• Calculated formula: C35.002 H28 Ni O5 P S
• Title of publication: Linear, High Molecular Weight Polyethylene from a Discrete, Mononuclear Phosphinoarenesulfonate Complex of Nickel(II)
• Authors of publication: Philippe Perrotin; Jenny S. J. McCahill; Guang Wu; Susannah L. Scott
• Journal of publication: Chem. Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6948
• a: 12.848 ± 0.004 Å
• b: 11.461 ± 0.004 Å
• c: 22.104 ± 0.007 Å
• α: 90°
• β: 106.795 ± 0.005°
• γ: 90°
• Cell volume: 3116 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No