Information card for entry 7026057

Structure parameters

• Formula: C8 H13.5 Au Cl N5 O7.25
• Calculated formula: C8 H13.5 Au Cl N5 O7.25
• SMILES: [Au]12(Cl)[NH2]CC(=O)N1[C@@H](Cc1[n]2c[nH]c1)C(=O)O.N(=O)(=O)[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: 24.5647 ± 0.0009 Å
• b: 6.7463 ± 0.0002 Å
• c: 17.7095 ± 0.0005 Å
• α: 90°
• β: 91.215 ± 0.003°
• γ: 90°
• Cell volume: 2934.17 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No