Information card for entry 7117165

Structure parameters

• Formula: C20 H36 Au Cl N8 O4
• Calculated formula: C20 H36 Au Cl N8 O4
• SMILES: [Au](=C1N(NC(C)(C)C)C=NN1C(C)(C)C)=C1N(C=NN1C(C)(C)C)NC(C)(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: A novel aminotriazole-based NHC complex for the design of gold(i) anti-cancer agents: synthesis and biological evaluation
• Authors of publication: Serebryanskaya, T. V.; Zolotarev, A. A.; Ott, I.
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1186
• a: 11.5632 ± 0.0004 Å
• b: 12.4279 ± 0.0004 Å
• c: 19.2238 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2762.58 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No