Information card for entry 7023574

Structure parameters

• Common name: [(PdPh3)H3Br3L]
• Formula: C40 H30 Br3 N6 O3 P Pd
• Calculated formula: C40 H30 Br3 N6 O3 P Pd
• Title of publication: Oxidant-induced intramolecular triazole formation.
• Authors of publication: Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16066 - 16072
• a: 11.3937 ± 0.0005 Å
• b: 13.1258 ± 0.0005 Å
• c: 15.9585 ± 0.0006 Å
• α: 107.383 ± 0.003°
• β: 104.036 ± 0.004°
• γ: 99.477 ± 0.003°
• Cell volume: 2135.92 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No