Information card for entry 4325850

Structure parameters

• Formula: C32 H53 B10 Cl P4 Pd2
• Calculated formula: C32 H53 B10 Cl P4 Pd2
• SMILES: [Pd]1234([P](C)(C)c5ccccc5)([Pd]567(Cl)([P](C)(C)c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[B]734([P](C)(C)c3ccccc3)[BH]5%1121)[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: 11.798 ± 0.002 Å
• b: 16.341 ± 0.003 Å
• c: 21.652 ± 0.004 Å
• α: 90°
• β: 98.427 ± 0.001°
• γ: 90°
• Cell volume: 4129.2 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No