Information card for entry 7026058

Structure parameters

• Formula: C8 H11 Au Cl N5 O6
• Calculated formula: C8 H11 Au Cl N5 O6
• SMILES: [Au]12(Cl)[NH2]CC(=O)N1[C@@H](Cc1c[nH]c[n]21)C(=O)O.N(=O)(=O)[O-]
• Title of publication: Monocationic gold(III) Gly-L-His and L-Ala-L-His dipeptide complexes: crystal structures arising from solvent free and solvent-containing crystal formation and structural modifications tuned by counter-anions.
• Authors of publication: Rychlewska, Urszula; Warzajtis, Beata; Glisić, Biljana D; Zivković, Marija D; Rajković, Snezana; Djuran, Milos I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 8906 - 8913
• a: 16.9519 ± 0.0019 Å
• b: 6.6137 ± 0.0007 Å
• c: 12.0312 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No