Information card for entry 4503173

Structure parameters

• Common name: Cd(AlaThr)2.(H2O)4
• Formula: C14 H42 Cd N4 O16
• Calculated formula: C14 H42 Cd N4 O16
• 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: 15.257 ± 0.004 Å
• b: 10.489 ± 0.003 Å
• c: 8.092 ± 0.002 Å
• α: 90°
• β: 96.809 ± 0.004°
• γ: 90°
• Cell volume: 1285.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0118
• Residual factor for significantly intense reflections: 0.0118
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.031
• 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