Information card for entry 4340554

Structure parameters

• Formula: C22 H16 N6 O2
• Calculated formula: C22 H16 N6 O2
• SMILES: c1(c(cccn1)NC(=O)c1ccccn1)c1c(cccn1)NC(=O)c1ccccn1
• Title of publication: Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.
• Authors of publication: Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8610 - 8623
• a: 14.1606 ± 0.0013 Å
• b: 3.9083 ± 0.0003 Å
• c: 16.1931 ± 0.0013 Å
• α: 90°
• β: 94.593 ± 0.004°
• γ: 90°
• Cell volume: 893.31 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No