Information card for entry 4325852

Structure parameters

• Formula: C34 H55 B10 Cl3 O P4 Pd2
• Calculated formula: C34 H55 B10 Cl3 O P4 Pd2
• SMILES: [Pd]12345([Pd]678([P](C)(C)c9ccccc9)([P](C)(C)c9ccccc9)(C1=O)[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](c1ccccc1)(C)C)[P](C)(c1ccccc1)C.ClC(Cl)Cl
• 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: 12.492 ± 0.003 Å
• b: 24.495 ± 0.005 Å
• c: 18.706 ± 0.006 Å
• α: 90°
• β: 123.51 ± 0.02°
• γ: 90°
• Cell volume: 4773 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No