Information card for entry 7040786

Structure parameters

• Formula: C18 H24 N8
• Calculated formula: C18 H24 N8
• SMILES: n1c(N=C2N(CCN2C)C)ccc2ccc(nc12)N=C1N(CCN1C)C
• Title of publication: Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.
• Authors of publication: Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16966 - 16983
• a: 12.567 ± 0.003 Å
• b: 9.418 ± 0.0019 Å
• c: 15.448 ± 0.003 Å
• α: 90°
• β: 98.81 ± 0.03°
• γ: 90°
• Cell volume: 1806.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No