Information card for entry 2012504

Structure parameters

• Chemical name: cis-bis(1,2,3,6-tetrahydro-1,3-dimethylpurine-2,6-dionato-κN^7^)bis (triphenylphosphine-κP)platinum(II)
• Formula: C50 H44 N8 O4 P2 Pt
• Calculated formula: C50 H44 N8 O4 P2 Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(n1c2c(N(C(=O)N(C)C2=O)C)nc1)n1c2c(N(C(=O)N(C)C2=O)C)nc1
• Title of publication: Platinum complexes of oxopurines: <i>cis</i>-bis(theophyllinato-<i>N</i>^7^)bis(triphenylphosphine)platinum(II) and <i>cis</i>-chloro(theobrominato-<i>N</i>^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate
• Authors of publication: Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m111 - m115
• a: 9.7839 ± 0.0005 Å
• b: 20.7991 ± 0.001 Å
• c: 22.0788 ± 0.0012 Å
• α: 90°
• β: 99.172 ± 0.006°
• γ: 90°
• Cell volume: 4435.5 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes