Information card for entry 7041712

Structure parameters

• Formula: C12 H19 Au Cl2 N4 O3
• Calculated formula: C12 H19 Au Cl2 N4 O3
• SMILES: [C@@H]1(C(=O)N2[C@@H](Cc3c[nH]c[n]3[Au]2([NH2]1)Cl)C(=O)O)CC(C)C.[Cl-]
• Title of publication: Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.
• Authors of publication: Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2594 - 2608
• a: 9.8509 ± 0.0002 Å
• b: 10.7911 ± 0.0002 Å
• c: 15.3736 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1634.25 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No