Information card for entry 4079545

Structure parameters

• Formula: C17 H23 Cl3 I2 N4 O Pt
• Calculated formula: C17 H23 Cl3 I2 N4 O Pt
• SMILES: C1(N(C=CN1C)Cc1ccccc1)=[Pt]([NH]1[C@@H](CCC1)C(=O)N)(I)I.C(Cl)(Cl)Cl
• Title of publication: Derivatization of Preformed Platinum N-Heterocyclic Carbene Complexes with Amino Acid and Peptide Ligands and Cytotoxic Activities toward Human Cancer Cells
• Authors of publication: Chardon, Edith; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7618
• a: 8.2872 ± 0.0002 Å
• b: 15.8767 ± 0.0004 Å
• c: 18.6988 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2460.26 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No