Information card for entry 7008218

Structure parameters

• Formula: C32 H54 B10 O2 P4 Pt2
• Calculated formula: C32 H54 B10 O2 P4 Pt2
• SMILES: [Pt]12345([Pt]678([P](C)(C)c9ccccc9)([P](C)(C)c9ccccc9)(OO1)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1
• 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: 11.1613 ± 0.0001 Å
• b: 28.0289 ± 0.0004 Å
• c: 16.3931 ± 0.0002 Å
• α: 90°
• β: 97.63 ± 0.001°
• γ: 90°
• Cell volume: 5082.99 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No