Information card for entry 4325849

Structure parameters

• Formula: C32 H54 B10 P4 Pd2
• Calculated formula: C32 H54 B10 P4 Pd2
• SMILES: [BH]1234[Pd]567([P](C)(C)c8ccccc8)([BH]89%10[BH]%11%12%13[BH]%14%158[BH]869[BH]615[BH]152[BH]3%11([BH]%12%141[BH]%15865)[Pd]47%10%13([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1
• Title of publication: Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects
• Authors of publication: Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7511 - 7523
• a: 23.4332 ± 0.0003 Å
• b: 11.4378 ± 0.0002 Å
• c: 17.2521 ± 0.0003 Å
• α: 90°
• β: 122.771 ± 0.001°
• γ: 90°
• Cell volume: 3888.03 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No