Information card for entry 4116717

Structure parameters

• Formula: C24 H58 Cl5 Cu3 N12 O20.5
• Calculated formula: C24 H55 Cl5 Cu3 N12 O20.56
• Title of publication: One-Pot Template Synthesis and Properties of a Molecular Bowl: Dodecaaza Macrotetracycle with μ3-Oxo and μ3-Hydroxo Tricopper(II) Cores
• Authors of publication: Myunghyun Paik Suh; Mi Young Han; Jea Ho Lee; Kil Sik Min; Changbong Hyeon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 3819 - 3820
• a: 20.447 ± 0.002 Å
• b: 20.447 ± 0.002 Å
• c: 20.447 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8548.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.1272
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No