Information card for entry 7026606

Structure parameters

• Formula: C20 H26.66667 Cl N3 O3.33333 Pt S
• Calculated formula: C20 H26 Cl N3 O3.33333 Pt S
• SMILES: c1cccc2C=[N]([Pt]3([n]12)Nc1ccccc1[S]3C)c1ccc(cc1)C.O.O.O.O.[Cl-]
• Title of publication: An unusual (H(2)O)(20) discrete water cluster in the supramolecular host of a charge transfer platinum(ii) complex: cytotoxicity and DNA cleavage activities.
• Authors of publication: Mandal, Sutanuva; Castiñeiras, Alfonso; Mondal, Tapan K.; Mondal, Arindam; Chattopadhyay, Dhrubajyoti; Goswami, Sreebrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9514 - 9522
• a: 35.0648 ± 0.0003 Å
• b: 35.0648 ± 0.0003 Å
• c: 9.4475 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10059.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No