Information card for entry 4079062

Structure parameters

• Formula: C49 H66 B11 Cl Ge N2 O P2 Pd
• Calculated formula: C49 H66 B11 Cl Ge N2 O P2 Pd
• SMILES: [Pd]12([Ge]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]567[BH]67%13[BH]%13%124[BH]4%113[BH]38%10[BH]956[BH]7%1343)(Cl)[P](c3cccc4c3[O]2c2c(cccc2[P]1(c1ccccc1)c1ccccc1)C4(C)C)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC.N#CC
• 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: 10.8523 ± 0.0012 Å
• b: 23.421 ± 0.005 Å
• c: 21.169 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5380.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No