Information card for entry 4313721

Structure parameters

• Formula: C19 H21 N5
• Calculated formula: C19 H21 N5
• SMILES: n1c(Nc2nccc(c2)CC)cccc1Nc1nccc(c1)CC
• Title of publication: Additional Steps toward Molecular Scale Wires: Further Study of Ni510/11+ Chains Embraced by Polypyridylamide Ligands
• Authors of publication: John F. Berry; F. Albert Cotton; Peng Lei; Tongbu Lu; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3534 - 3539
• a: 8.6996 ± 0.0006 Å
• b: 24.849 ± 0.002 Å
• c: 7.942 ± 0.0006 Å
• α: 90°
• β: 104.882 ± 0.001°
• γ: 90°
• Cell volume: 1659.3 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No