Information card for entry 7041713

Structure parameters

• Formula: C12 H21 Au2 Cl5 N4 O4
• Calculated formula: C12 H21 Au2 Cl5 N4 O4
• 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.O.[Cl-][Au](Cl)(Cl)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: 8.3519 ± 0.0001 Å
• b: 11.1268 ± 0.0001 Å
• c: 24.3707 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2264.77 ± 0.04 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: 0.0193
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No