Information card for entry 7215608

Structure parameters

• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: n1ccc(cc1)NC(=O)c1cccc(c1)C(=O)Nc1ccncc1
• Title of publication: Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion
• Authors of publication: Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 796 - 802
• a: 12.664 ± 0.004 Å
• b: 8.986 ± 0.003 Å
• c: 14.687 ± 0.005 Å
• α: 90°
• β: 114.762 ± 0.005°
• γ: 90°
• Cell volume: 1517.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7200476
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No