Information card for entry 4301757

Structure parameters

• Formula: C33 H34 Cl2 Cu N8 O10
• Calculated formula: C33 H34 Cl2 Cu N8 O10
• SMILES: [Cu]12(ON(=O)=O)[NH]3Cc4c(OCCOc5c(C[NH]2CC[N]1(CC3)c1ccc(N=Nc2ccc(N(=O)=O)cc2)cc1)cccc5)cccc4.O=N(=O)[O-].ClCCl
• Title of publication: Copper(II) Interaction with Mono-, Bis- and Tris-Ring N3O2 Macrocycles: Synthetic, X-ray, Competitive Membrane Transport, and Hypochromic Shift Studies
• Authors of publication: Joobeom Seo; Sunhong Park; Shim Sung Lee; Marina Fainerman-Melnikova; Leonard F. Lindoy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2770 - 2779
• a: 8.2961 ± 0.0006 Å
• b: 12.8519 ± 0.001 Å
• c: 17.9321 ± 0.0013 Å
• α: 77.861 ± 0.002°
• β: 82.893 ± 0.002°
• γ: 78.241 ± 0.002°
• Cell volume: 1823.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1887
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No