Information card for entry 7113949

Structure parameters

• Common name: DPMN
• Chemical name: 2,7-bis(2,2'-dipyridylmethyl)-1,8-naphthyridine
• Formula: C30 H22 N6
• Calculated formula: C30 H22 N6
• SMILES: n1c2nc(ccc2ccc1C(c1ncccc1)c1ncccc1)C(c1ncccc1)c1ncccc1
• Title of publication: A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts
• Authors of publication: Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6326
• a: 8.072 ± 0.002 Å
• b: 12.076 ± 0.003 Å
• c: 12.881 ± 0.003 Å
• α: 69.775 ± 0.004°
• β: 84.874 ± 0.004°
• γ: 79.297 ± 0.004°
• Cell volume: 1157.3 ± 0.5 ų
• Cell temperature: 131 ± 2 K
• Ambient diffraction temperature: 131 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No