Information card for entry 7033319

Structure parameters

• Formula: C23 H16 Au N4 P
• Calculated formula: C23 H16 Au N4 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc(c1C#N)C#N
• Title of publication: A study on the inhibition of dihydrofolate reductase (DHFR) from Escherichia coli by gold(i) phosphane compounds. X-ray crystal structures of (4,5-dichloro-1H-imidazolate-1-yl)-triphenylphosphane-gold(i) and (4,5-dicyano-1H-imidazolate-1-yl)-triphenylphosphane-gold(i).
• Authors of publication: Galassi, Rossana; Oumarou, Camille Simon; Burini, Alfredo; Dolmella, Alessandro; Micozzi, Daniela; Vincenzetti, Silvia; Pucciarelli, Stefania
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3043 - 3056
• a: 6.68635 ± 0.00013 Å
• b: 12.1176 ± 0.00016 Å
• c: 26.3295 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2133.28 ± 0.06 ų
• Cell temperature: 297.6 K
• Ambient diffraction temperature: 297.6 K
• Number of distinct elements: 5
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No