Information card for entry 7037951

Structure parameters

• Formula: C10 H14 Cl4 N2 Pt
• Calculated formula: C10 H14 Cl4 N2 Pt
• SMILES: [Pt]1(Cl)(Cl)[n]2c(cccc2)C[N]1(CCCl)CCCl
• Title of publication: Anticancer activity of a cis-dichloridoplatinum(ii) complex of a chelating nitrogen mustard: insight into unusual guanine binding mode and low deactivation by glutathione.
• Authors of publication: Karmakar, Subhendu; Purkait, Kallol; Chatterjee, Saptarshi; Mukherjee, Arindam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3599 - 3615
• a: 8.5829 ± 0.0011 Å
• b: 10.4134 ± 0.0011 Å
• c: 15.2859 ± 0.0016 Å
• α: 90°
• β: 98.844 ± 0.01°
• γ: 90°
• Cell volume: 1350 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No