Information card for entry 4316695

Structure parameters

• Formula: C38 H38 N6 Ni O6
• Calculated formula: C38 H38 N6 Ni O6
• SMILES: [Ni]123Oc4ccc(N=Nc5ccc(cc5)C(=O)OCC)cc4C=[N]2C(C)(C)C([N]3=Cc2c(ccc(N=Nc3ccc(cc3)C(=O)OCC)c2)O1)(C)C
• 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: 18.447 ± 0.002 Å
• b: 12.3599 ± 0.0015 Å
• c: 15.386 ± 0.0018 Å
• α: 90°
• β: 105.989 ± 0.002°
• γ: 90°
• Cell volume: 3372.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No