Information card for entry 7042242

Structure parameters

• Formula: C18 H31 B N6 Pd
• Calculated formula: C18 H31 B N6 Pd
• SMILES: [Pd]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C)(C)C
• Title of publication: The first palladium(iv) aryldiazenido complex: relevance for C-C coupling.
• Authors of publication: Daryanavard, Marzieh; Armstrong, David; Lough, Alan J.; Fekl, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 4004 - 4008
• a: 16.3066 ± 0.0009 Å
• b: 9.8567 ± 0.0006 Å
• c: 25.2093 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4051.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No