Information card for entry 4079546

Structure parameters

• Formula: C28 H36 I2 N5 O4 Pt
• Calculated formula: C28 H36 I2 N5 O4 Pt
• SMILES: C1(N(C=CN1Cc1ccccc1)C)=[Pt](N[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)OC)(I)I
• 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: 9.5879 ± 0.0019 Å
• b: 18.125 ± 0.004 Å
• c: 21.11 ± 0.004 Å
• α: 70.52 ± 0.03°
• β: 82 ± 0.03°
• γ: 87.25 ± 0.03°
• Cell volume: 3424.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No