Information card for entry 7021821

Structure parameters

• Common name: in manuscript Mes-5
• Formula: C24 H38 B F4 N2 P Pd
• Calculated formula: C24 H38 B F4 N2 P Pd
• Title of publication: A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.
• Authors of publication: Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12861 - 12864
• a: 11.8866 ± 0.001 Å
• b: 12.0415 ± 0.0009 Å
• c: 19.0193 ± 0.0016 Å
• α: 90°
• β: 103.38 ± 0.002°
• γ: 90°
• Cell volume: 2648.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No