Information card for entry 4065447

Structure parameters

• Formula: C29 H41 F3 N2 O5 P2 Pd2 S
• Calculated formula: C29 H41 F3 N2 O5 P2 Pd2 S
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].c12c3cccc1C=[N]1CC[N]4=Cc5c6c(ccc5)O[P](C(C)C)(C(C)C)[Pd]46[H][Pd]21[P](C(C)C)(C(C)C)O3
• 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: 16.569 ± 0.006 Å
• b: 13.748 ± 0.005 Å
• c: 16.022 ± 0.006 Å
• α: 90°
• β: 90.617 ± 0.004°
• γ: 90°
• Cell volume: 3649 ± 2 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: 0.1009
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No