Information card for entry 1518795

Structure parameters

• Formula: C81 H67.5 Cl2.5 I3 P4 Pd Pt2
• Calculated formula: C81 H67.5 Cl2.5 I3 P4 Pd Pt2
• SMILES: [Pt]123([Pt](I)([Pd]2([I]1)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P]3(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1
• Title of publication: Phosphanido-Bridged Triangular Platinum Clusters as Versatile Platforms: A Personal Account
• Authors of publication: Bender, Robert; Welter, Richard; Braunstein, Pierre
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 20 - 28
• a: 13.9 ± 0.005 Å
• b: 27.991 ± 0.005 Å
• c: 20.413 ± 0.005 Å
• α: 90°
• β: 103.253 ± 0.005°
• γ: 90°
• Cell volume: 7731 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0995
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No