Information card for entry 7040790

Structure parameters

• Formula: C36 H48 B4 Cu4 F16 N16
• Calculated formula: C36 H48 B4 Cu4 F16 N16
• SMILES: [B]([F][Cu]12[N](c3ccc4c5[n]3[Cu]31[Cu]16[n]7c8c(ccc7[N](=C7N(CCN7C)C)[Cu]6([F][B](F)(F)F)[N](c(cc4)[n]51)=C1N(CCN1C)C)ccc([n]38)[N]2=C1N(CCN1C)C)=C1N(CCN1C)C)(F)(F)F.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 12.124 ± 0.002 Å
• b: 13.969 ± 0.003 Å
• c: 14.043 ± 0.003 Å
• α: 90°
• β: 95.19 ± 0.03°
• γ: 90°
• Cell volume: 2368.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No