Information card for entry 7103142

Structure parameters

• Formula: C31 H46 B10 Cl6 N2 O2 P2 Pd Pt S
• Calculated formula: C31 H46 B10 Cl6 N2 O2 P2 Pd Pt S
• SMILES: [Pd]123456([n]7cccc8ccc9ccc[n]1c9c78)S(=O)(=O)[Pt]1782([BH]293[BH]3%104[BH]4%115[BH]561[BH]16%11[BH]%11%104[BH]493[BH]372[BH]851[BH]6%1143)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1.ClCCl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Metallaborane reaction chemistry. A predicted and found tailored facile and reversible capture of SO2 by a B-frame-supported bimetallic: structures of [(PMe2Ph)2PtPd(phen)B10H10] and [(PMe2Ph)2Pt(SO2)Pd(phen)B10H10].
• Authors of publication: Bould, Jonathan; Kennedy, John D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2447 - 2449
• a: 14.689 ± 0.002 Å
• b: 17.188 ± 0.002 Å
• c: 18.742 ± 0.003 Å
• α: 90°
• β: 98.046 ± 0.008°
• γ: 90°
• Cell volume: 4685.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No