Information card for entry 7008220

Structure parameters

• Formula: C38 H68 B10 O2 P4 Pt2 S
• Calculated formula: C38 H68 B10 O2 P4 Pt2 S
• SMILES: [Pt]12345([Pt]678([P](C)(c9ccccc9)C)(S1(=O)=O)([P](c1ccccc1)(C)C)[BH]19%10[BH]%1136[BH]362[BH]2%12%13[BH]%14%15%16[BH]12([BH]9%116%13)[BH]7%10%15[BH]58%16[BH]43%12%14)([P](C)(c1ccccc1)C)[P](c1ccccc1)(C)C.CCCCCC
• Title of publication: The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].
• Authors of publication: Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1574 - 1582
• a: 23.852 ± 0.0002 Å
• b: 10.848 ± 0.0001 Å
• c: 17.71 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4582.4 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No