Information card for entry 4067313

Structure parameters

• Formula: C37 H40.5 B4 F16 N13.5 O Pd3
• Calculated formula: C37 H40.5 B4 F16 N13.5 O Pd3
• Title of publication: Palladium(II) and Platinum(II) Complexes Featuring a Nitrile-Functionalized N-Heterocyclic Carbene Ligand
• Authors of publication: O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 570
• a: 11.9154 ± 0.0004 Å
• b: 14.7371 ± 0.0005 Å
• c: 17.2324 ± 0.0007 Å
• α: 81.452 ± 0.002°
• β: 85.534 ± 0.0019°
• γ: 72.647 ± 0.002°
• Cell volume: 2854.37 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1135
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No