Information card for entry 7104252

Structure parameters

• Formula: C28 H42 I O2 P Pt
• Calculated formula: C28 H42 I O2 P Pt
• SMILES: [Pt]12(I)(C3(C)[C@]4(C)[C]1(C)=[C]2(C)[C@@]3(C)OO4)[P](c1ccccc1)(C1CCCCC1)C1CCCCC1
• Title of publication: Activation of metal-bound eta5-C5Me5 groups to Diels-Alder addition of 3O2 and other dienophiles.
• Authors of publication: Boag, Neil M; Rao, K Mohan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1499 - 1501
• a: 9.954 ± 0.003 Å
• b: 11.961 ± 0.004 Å
• c: 12.053 ± 0.005 Å
• α: 90°
• β: 93.41 ± 0.03°
• γ: 90°
• Cell volume: 1432.5 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No