Information card for entry 4325854

Structure parameters

• Formula: C38 H60 B10 O2 P4 Pd2 S
• Calculated formula: C38 H60 B10 O2 P4 Pd2 S
• SMILES: [Pd]12345(S(=O)(=O)[Pd]6781([P](c1ccccc1)(C)C)([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](c1ccccc1)(C)C)[P](c1ccccc1)(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: 23.964 ± 0.005 Å
• b: 10.788 ± 0.002 Å
• c: 17.682 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4571.2 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1152
• 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