Information card for entry 4084112

Structure parameters

• Formula: C12 H16.5 B2 F8 N7.5 Pd
• Calculated formula: C12 H16.5 B2 F8 N7.5 Pd
• SMILES: [Pd]1(=C2N(C=CN2N2C=1N(N=C2)C)C)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(C)#N
• 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: 25.5241 ± 0.001 Å
• b: 28.4837 ± 0.0011 Å
• c: 11.1776 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8126.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No