Information card for entry 4079063

Structure parameters

• Formula: C41 H46 B11 Ge N O P2 Pd
• Calculated formula: C41 H46 B11 Ge N O P2 Pd
• SMILES: [BH]1234[BH]567[Ge]892([BH]2%101[BH]1%114[BH]435[BH]357[BH]7%12%13[BH]21([BH]9%10%12[BH]6837)[BH]%1145%13)[Pd]12[P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C
• 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: 12.4283 ± 0.0009 Å
• b: 12.2637 ± 0.0006 Å
• c: 14.8561 ± 0.001 Å
• α: 90°
• β: 108.995 ± 0.005°
• γ: 90°
• Cell volume: 2141 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No