Information card for entry 7005574

Structure parameters

• Formula: C22 H37 B2 F8 N7 Pd
• Calculated formula: C22 H37 B2 F8 N7 Pd
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C1=2N(C=CN1CC[NH]1CCN3C=CN(C3=[Pd]21[N]#CC)C(C)(C)C)C(C)(C)C.C(#N)C
• Title of publication: Structural variation, dynamics, and catalytic application of palladium(II) complexes of di-N-heterocyclic carbene-amine ligands.
• Authors of publication: Houghton, Jennifer; Dyson, Gavin; Douthwaite, Richard E.; Whitwood, Adrian C.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3065 - 3073
• a: 13.3436 ± 0.0009 Å
• b: 12.2206 ± 0.0009 Å
• c: 18.1927 ± 0.0014 Å
• α: 90°
• β: 94.253 ± 0.002°
• γ: 90°
• Cell volume: 2958.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No