Information card for entry 7104251

Structure parameters

• Formula: C40 H72 N4 O12 Pt6
• Calculated formula: C40 H72 N4 O12 Pt6
• SMILES: C[Pt]12(C)(OC(=O)O1)[n]1ccccc1CCc1[n]2cccc1.C[Pt]12(C)(C)[OH]3[Pt]4(C)([OH]1)(C)[OH]1[Pt](C)(C)(C)([OH][Pt]31(C)(C)[OH]2)[OH]4.C[Pt]12(C)(OC(=O)O1)[n]1ccccc1CCc1cccc[n]21
• Title of publication: A double cubane structure in organoplatinum(IV) chemistry.
• Authors of publication: Safa, Muhieddine S; Jennings, Michael C; Puddephatt, Richard J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1487 - 1489
• a: 11.3138 ± 0.0004 Å
• b: 13.9347 ± 0.0003 Å
• c: 16.6656 ± 0.0005 Å
• α: 90°
• β: 106.78 ± 0.001°
• γ: 90°
• Cell volume: 2515.53 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No