Information card for entry 4110890

Structure parameters

• Formula: C32 H41 B Cl F4 N O7 Pt2
• Calculated formula: C32 H41 B Cl F4 N O7 Pt2
• SMILES: [Pt]12345([C@H]6[C@@H]7c8c(ccc(c8[C@@H](C7)[C@@H]16[O]5[Pt]156([CH]7=[CH]1CC[CH]5=[CH]6CC7)Cl)OC(=O)C)OC(=O)C)[CH]1=[CH]2CC[CH]4=[CH]3CC1.[B](F)(F)(F)[F-].N(=O)(=O)C.[Pt]12345([C@@H]6[C@H]7c8c(ccc(c8[C@H](C7)[C@H]16[O]5[Pt]156([CH]7=[CH]1CC[CH]5=[CH]6CC7)Cl)OC(=O)C)OC(=O)C)[CH]1=[CH]2CC[CH]4=[CH]3CC1.[B](F)(F)(F)[F-].N(=O)(=O)C
• Title of publication: Reversible Alkene Extrusion from Platinaoxetanes
• Authors of publication: Endre Szuromi; Jianguo Wu; Paul R. Sharp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12088 - 12089
• a: 10.7045 ± 0.0011 Å
• b: 12.2835 ± 0.0013 Å
• c: 13.3986 ± 0.0014 Å
• α: 78.075 ± 0.002°
• β: 83.675 ± 0.002°
• γ: 81.444 ± 0.002°
• Cell volume: 1698.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No