Information card for entry 4064493

Structure parameters

• Common name: in manuscript 13b
• Formula: C16 H27.5 Cl N2.5 Pd0.5
• Calculated formula: C16 H27.5 Cl N2.5 Pd0.5
• Title of publication: From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity
• Authors of publication: Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2411
• a: 16.3358 ± 0.0014 Å
• b: 12.1124 ± 0.0011 Å
• c: 17.6986 ± 0.0016 Å
• α: 90°
• β: 95.689 ± 0.002°
• γ: 90°
• Cell volume: 3484.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No