Information card for entry 2004289

Structure parameters

• Common name: (Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I)
• Chemical name: (3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I)
• Formula: C15 H18 Au N4 O2 P
• Calculated formula: C15 H18 Au N4 O2 P
• SMILES: [Au]([P](c1ccccc1)(C)C)n1c2c(N(C(=O)N(C)C2=O)C)nc1
• Title of publication: (1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I)
• Authors of publication: Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2551 - 2554
• a: 15.401 ± 0.007 Å
• b: 18.228 ± 0.011 Å
• c: 5.857 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1644.2 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.0833
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No