Information card for entry 7042101

Structure parameters

• Formula: C20 H14 Au Cl F12 N4 P2
• Calculated formula: C20 H14 Au Cl F12 N4 P2
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Au]([n]12)([n]34)Cl)c1cccnc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cytotoxic gold(iii) complexes incorporating a 2,2':6',2''-terpyridine ligand framework - the impact of the substituent in the 4'-position of a terpy ring.
• Authors of publication: Czerwińska, K; Golec, M.; Skonieczna, M.; Palion-Gazda, J; Zygadło, D; Szlapa-Kula, A; Krompiec, S.; Machura, B.; Szurko, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3381 - 3392
• a: 11.782 ± 0.0004 Å
• b: 14.9666 ± 0.0006 Å
• c: 28.1505 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4964 ± 0.4 ų
• Cell temperature: 134.3 ± 0.8 K
• Ambient diffraction temperature: 134.3 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No