Information card for entry 7106522

Structure parameters

• Formula: C49 H47 Ni O7 P S
• Calculated formula: C49 H47 Ni O7 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: 11.165 ± 0.007 Å
• b: 11.531 ± 0.007 Å
• c: 17.445 ± 0.011 Å
• α: 72.33 ± 0.009°
• β: 90.064 ± 0.01°
• γ: 83.002 ± 0.01°
• Cell volume: 2122 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 2.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No