Information card for entry 7018798

Structure parameters

• Formula: C21 H16 Au N4 O4 P
• Calculated formula: C21 H16 Au N4 O4 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1nc(N(=O)=O)cc1N(=O)=O
• Title of publication: Synthesis and characterization of azolate gold(i) phosphane complexes as thioredoxin reductase inhibiting antitumor agents.
• Authors of publication: Galassi, Rossana; Burini, Alfredo; Ricci, Simone; Pellei, Maura; Rigobello, Maria Pia; Citta, Anna; Dolmella, Alessandro; Gandin, Valentina; Marzano, Cristina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5307 - 5318
• a: 8.13 ± 0.0016 Å
• b: 11.393 ± 0.002 Å
• c: 23.339 ± 0.005 Å
• α: 90°
• β: 97.6 ± 0.03°
• γ: 90°
• Cell volume: 2142.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.364
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No