Information card for entry 1512777

Structure parameters

• Formula: C42 H42 B F4 N O2 P2 Pt
• Calculated formula: C42 H42 B F4 N O2 P2 Pt
• SMILES: C1(=O)[C@H](CC(C)C)[NH2][Pt](O1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthesis, characterization and cytotoxicity studies of platinum(II) complexes with amino acid ligands in various coordination modes
• Authors of publication: Sangeeta Roy Chaudhuri; Goran N. Kaluderovic; Martin Bette; Jurgen Schmidt; Harry Schmidt; Reinhard Paschke; Dirk Steinborn
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 472 - 480
• a: 12.7036 ± 0.0009 Å
• b: 23.773 ± 0.002 Å
• c: 13.5624 ± 0.0009 Å
• α: 90°
• β: 106.322 ± 0.007°
• γ: 90°
• Cell volume: 3930.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No