Information card for entry 4301755

Structure parameters

• Formula: C38 H51.67 N3 O6
• Calculated formula: C38 H51.6667 N3 O6
• 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: 16.946 ± 0.003 Å
• b: 39.268 ± 0.008 Å
• c: 18.999 ± 0.004 Å
• α: 90°
• β: 114.16 ± 0.03°
• γ: 90°
• Cell volume: 11535 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1904
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No