Information card for entry 7108053

Structure parameters

• Formula: C40 H66 N24 O29 Pt4
• Calculated formula: C40 H56 N24 O29 Pt4
• SMILES: [Pt]12([n]3c4c([n]([Pt]5([n]6c7c([n]([Pt]8([n]9c%10c([n]([Pt]%11([n]%12c%13c([n]1cc%12)cccc%13)[NH2]CC[NH2]%11)cc9)cccc%10)[NH2]CC[NH2]8)cc6)cccc7)[NH2]CC[NH2]5)cc3)cccc4)[NH2]CC[NH2]2.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O
• Title of publication: Platinum squares with high selectivity and affinity for human telomeric G-quadruplexes
• Authors of publication: Xiao-Hui Zheng; Huo-Yan Chen; Ming-Liang Tong; Liang-Nian Ji; Zong-Wan Mao
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7607
• a: 14.3774 ± 0.0008 Å
• b: 14.5747 ± 0.0008 Å
• c: 16.3334 ± 0.0008 Å
• α: 97.317 ± 0.001°
• β: 91.554 ± 0.001°
• γ: 106.389 ± 0.001°
• Cell volume: 3249.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No