Information card for entry 4309719

Structure parameters

• Formula: C19 H31 Cl N4 O7 Pt S
• Calculated formula: C19 H31 Cl N4 O7 Pt S
• SMILES: [Pt]1([S](=O)(C)C)([N](Cc2c1cccc2)(C)C)[n]1c(ccn(c1=O)C)N.Cl(=O)(=O)(=O)[O-].CC(=O)C
• Title of publication: New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA
• Authors of publication: José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7365 - 7376
• a: 13.6323 ± 0.0006 Å
• b: 13.9239 ± 0.0006 Å
• c: 14.2497 ± 0.0006 Å
• α: 90°
• β: 116.498 ± 0.002°
• γ: 90°
• Cell volume: 2420.66 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No