Information card for entry 4343190

Structure parameters

• Formula: C19 H20 Cl4 N4 O5 Pt
• Calculated formula: C19 H20 Cl4 N4 O5 Pt
• SMILES: [Pt]1234([CH]5=[CH]3CC[CH]2=[CH]1CC5)[n]1c2c(c3occc43)ncnc2n(c1)C.ClC(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Regioselectivity of the C-metalation of 6-furylpurine: importance of directing effects.
• Authors of publication: Sinha, Indranil; Hepp, Alexander; Schirmer, Birgitta; Kösters, Jutta; Neugebauer, Johannes; Müller, Jens
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4183 - 4185
• a: 7.0458 ± 0.0003 Å
• b: 13.6789 ± 0.0007 Å
• c: 13.7056 ± 0.0006 Å
• α: 65.088 ± 0.001°
• β: 79.045 ± 0.001°
• γ: 75.1 ± 0.001°
• Cell volume: 1152.7 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No