Information card for entry 4350486

Structure parameters

• Formula: C23 H34 Cu F3 N5 O5 S2
• Calculated formula: C23 H34 Cu F3 N5 O5 S2
• SMILES: [Cu]123(OS(=O)(=O)C(F)(F)F)[NH2]CCC[N]41CC[N]2(CC4)CCCN3S(=O)(=O)c1cccc2c(N(C)C)cccc12
• Title of publication: Fluorescent nitric oxide detection by copper complexes bearing anthracenyl and dansyl fluorophore ligands.
• Authors of publication: Lim, Mi Hee; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8980 - 8989
• a: 8.272 ± 0.005 Å
• b: 12.9 ± 0.007 Å
• c: 13.942 ± 0.008 Å
• α: 84.277 ± 0.01°
• β: 84.374 ± 0.009°
• γ: 71.511 ± 0.009°
• Cell volume: 1400.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No