Information card for entry 4345486

Structure parameters

• Formula: C18 H23 Cl4 N3 O2 Pt S
• Calculated formula: C18 H23 Cl4 N3 O2 Pt S
• SMILES: [Pt](Cl)([S](C)(=O)C)(Cl)[NH2]CCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
• Title of publication: Novel Antitumor Platinum(II) Conjugates Containing the Nonsteroidal Anti-inflammatory Agent Diclofenac: Synthesis and Dual Mechanisms of Antiproliferative Effects.
• Authors of publication: Intini, Francesco Paolo; Zajac, Juraj; Novohradsky, Vojtech; Saltarella, Teresa; Pacifico, Concetta; Brabec, Viktor; Natile, Giovanni; Kasparkova, Jana
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1483 - 1497
• a: 15.909 ± 0.002 Å
• b: 8.1697 ± 0.0012 Å
• c: 18.561 ± 0.003 Å
• α: 90°
• β: 97.482 ± 0.01°
• γ: 90°
• Cell volume: 2391.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1671
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No