Information card for entry 4316691

Structure parameters

• Formula: C48 H60 N6 Ni O6
• Calculated formula: C48 H60 N6 Ni O6
• Title of publication: Nickel(II) and Palladium(II) Complexes of Azobenzene-Containing Ligands as Dichroic Dyes
• Authors of publication: Octavia A. Blackburn; Benjamin J. Coe; John Fielden; Madeleine Helliwell; Joseph J. W. McDouall; Michael G. Hutchings
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9136 - 9150
• a: 8.463 ± 0.016 Å
• b: 9.997 ± 0.017 Å
• c: 14.83 ± 0.03 Å
• α: 76.12 ± 0.03°
• β: 84.69 ± 0.04°
• γ: 69.92 ± 0.03°
• Cell volume: 1144 ± 4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No