Information card for entry 7041711

Structure parameters

• Formula: C11 H21 Au Cl2 N4 O5
• Calculated formula: C11 H21 Au Cl2 N4 O5
• SMILES: [C@@H]1(C(=O)N2[C@@H](Cc3c[nH]c[n]3[Au@]2([NH2]1)Cl)C(=O)O)C(C)C.O.O.[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: 6.931 ± 0.0004 Å
• b: 11.7421 ± 0.0007 Å
• c: 12.5963 ± 0.0008 Å
• α: 68.927 ± 0.006°
• β: 79.453 ± 0.005°
• γ: 88.221 ± 0.005°
• Cell volume: 939.75 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No