Information card for entry 7002984

Structure parameters

• Formula: C13 H11 Cl N2 O Pt
• Calculated formula: C13 H11 Cl N2 O Pt
• SMILES: [Pt]12([N](=Cc3[n]2cccc3)c2c(O1)ccc(c2)C)Cl
• Title of publication: DNA cleavage and antitumour activity of platinum(II) and copper(II) compounds derived from 4-methyl-2-N-(2-pyridylmethyl)aminophenol: spectroscopic, electrochemical and biological investigation
• Authors of publication: Roy, Sudeshna; Maheswari, Palanisamy Uma; Lutz, Martin; Spek, Anthony L.; den Dulk, Hans; Barends, Sharief; van Wezel, Gilles P.; Hartl, František; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10846 - 10860
• a: 7.1447 ± 0.0003 Å
• b: 8.5058 ± 0.0003 Å
• c: 10.2432 ± 0.0003 Å
• α: 83.23 ± 0.002°
• β: 76.509 ± 0.001°
• γ: 87.059 ± 0.002°
• Cell volume: 600.91 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No