Information card for entry 7040678

Structure parameters

• Chemical name: 3-amino-N-(pyridin-2-ylmethyl)-propanamide dihydrate
• Formula: C9 H16 Cl Cu N3 O3
• Calculated formula: C9 H16 Cl Cu N3 O3
• Title of publication: Solution equilibria and the X-ray structure of Cu(ii) complexation with 3-amino-N-(pyridin-2-ylmethyl)propanamide, a pseudo-mimic of human serum albumin.
• Authors of publication: Jackson, Graham E.; Elmagbari, Fatin M.; Hammouda, Ahmed N.; Bonomo, Raffaele P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 17010 - 17019
• a: 7.3116 ± 0.0002 Å
• b: 22.407 ± 0.0009 Å
• c: 7.357 ± 0.0002 Å
• α: 90°
• β: 90.08 ± 0.002°
• γ: 90°
• Cell volume: 1205.3 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No