Information card for entry 2004562

Structure parameters

• Chemical name: 5,5-bis(dimethylphenylphosphine)-arachno-4,6-dithia-5-palladanonaborane
• Formula: C16 H30 B6 P2 Pd S2
• Calculated formula: C16 H30 B6 P2 Pd S2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%107[S]6[Pd]35([S]2[BH]249[BH]81([H]%10)[H]2)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• Title of publication: 5,5-Bis(dimethylphenylphosphine)-4,6-dithia-5-pallada-<i>arachno</i>-nonaborane
• Authors of publication: Ferguson, G.; McCarthy, D. E.; Spalding, T. R.; Kennedy, J. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 548 - 550
• a: 9.53 ± 0.003 Å
• b: 10.268 ± 0.002 Å
• c: 13.235 ± 0.003 Å
• α: 70.34 ± 0.02°
• β: 86.15 ± 0.02°
• γ: 84.81 ± 0.02°
• Cell volume: 1213.7 ± 0.5 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.0837
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No