Information card for entry 4084110

Structure parameters

• Formula: C17 H26 B2 F8 N6 O2 Pd S2
• Calculated formula: C17 H26 B2 F8 N6 O2 Pd S2
• Title of publication: Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors
• Authors of publication: Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4035
• a: 6.3861 ± 0.0005 Å
• b: 14.5693 ± 0.0011 Å
• c: 28.194 ± 0.002 Å
• α: 90°
• β: 90.958 ± 0.002°
• γ: 90°
• Cell volume: 2622.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No