Information card for entry 4065448

Structure parameters

• Formula: C31 H45 F3 N2 O5 P2 Pd2 S
• Calculated formula: C31 H45 F3 N2 O5 P2 Pd2 S
• SMILES: C(C)(C)[P]1(C(C)C)Oc2c3c(ccc2)C=[N]2CCCC[N]4=Cc5c6[Pd]4([P](C(C)C)(C(C)C)Oc6ccc5)[H][Pd]132.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Binuclear Palladium Complexes Supported by Bridged Pincer Ligands
• Authors of publication: Herbert, David E.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6641
• a: 20.882 ± 0.005 Å
• b: 13.676 ± 0.003 Å
• c: 25.112 ± 0.006 Å
• α: 90°
• β: 102.349 ± 0.003°
• γ: 90°
• Cell volume: 7006 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.077
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No