Information card for entry 2237917

Structure parameters

• Chemical name: <i>trans</i>-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9<i>H</i>-purine-κ<i>N</i>^7^}platinum(II)
• Formula: C30 H30 Cl4 F2 N10 Pt
• Calculated formula: C30 H30 Cl4 F2 N10 Pt
• SMILES: c1(nc(c2c(n1)n(c[n]2[Pt]([n]1c2c(nc(nc2NCc2cc(F)ccc2)Cl)n(c1)C(C)C)(Cl)Cl)C(C)C)NCc1cc(F)ccc1)Cl
• Title of publication: <i>trans</i>-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9<i>H</i>-purine-κ<i>N</i>^7^}platinum(II)
• Authors of publication: Trávníček, Zdeněk; Štarha, Pavel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m331
• a: 9.37786 ± 0.00013 Å
• b: 12.8653 ± 0.00017 Å
• c: 14.2891 ± 0.0002 Å
• α: 90°
• β: 107.916 ± 0.0016°
• γ: 90°
• Cell volume: 1640.36 ± 0.04 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0158
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes