Information card for entry 7005400

Structure parameters

• Formula: C27 H32 B F4 N5 Pd
• Calculated formula: C27 H32 B F4 N5 Pd
• SMILES: [Pd]12([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)[n]1nn(cc1c1ccccc1)Cc1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: "Click" 1,2,3-triazoles as tunable ligands for late transition metal complexes.
• Authors of publication: Suijkerbuijk, Bart M. J. M.; Aerts, Bas N. H.; Dijkstra, Harm P.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 13
• Pages of publication: 1273 - 1276
• a: 18.7077 ± 0.0002 Å
• b: 13.95732 ± 0.0001 Å
• c: 20.6417 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5389.74 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No