Information card for entry 4079065

Structure parameters

• Formula: C79.5 H86.5 B11 N2.5 O4.5 P4 Pd2 Sn
• Calculated formula: C79.5 H86.5 B11 N2.5 O4.5 P4 Pd2 Sn
• Title of publication: Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation
• Authors of publication: Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7044
• a: 15.2954 ± 0.0006 Å
• b: 23.7892 ± 0.001 Å
• c: 21.3124 ± 0.0009 Å
• α: 90°
• β: 91.11 ± 0.002°
• γ: 90°
• Cell volume: 7753.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No