Information card for entry 4084130

Structure parameters

• Chemical name: eta4-(1-Phenyl-1,5-cyclooctadienyl)-diiodoplatinium(II))
• Formula: C14 H16 I2 Pt
• Calculated formula: C14 H16 I2 Pt
• SMILES: [Pt]123(I)(I)[C]4(=[CH]1CC[CH]2=[CH]3CC4)c1ccccc1
• Title of publication: Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands
• Authors of publication: Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4027
• a: 11.4997 ± 0.0007 Å
• b: 10.4189 ± 0.0003 Å
• c: 12.1567 ± 0.0008 Å
• α: 90°
• β: 91.144 ± 0.005°
• γ: 90°
• Cell volume: 1456.26 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No