Information card for entry 4503172

Structure parameters

• Common name: Cd(Ala2)2
• Formula: C36 H66 Cd3 N12 O18
• Calculated formula: C36 H66 Cd3 N12 O18
• Title of publication: Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions
• Authors of publication: Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 296
• a: 13.871 ± 0.0014 Å
• b: 33.898 ± 0.004 Å
• c: 5.4168 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2547 ± 0.5 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No