Information card for entry 4084497

Structure parameters

• Formula: C27 H34 F6 N4 O8 Pd S3
• Calculated formula: C27 H34 F6 N4 O8 Pd S3
• SMILES: [Pd]1([OH2])([O]=S(C)C)=C2N(c3ccccc3N2CCCN2C=1N(C=C2)c1c(cc(cc1C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Hetero-dicarbene Complexes of Palladium(II): Syntheses and Catalytic Activities
• Authors of publication: Yuan, Dan; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6033
• a: 11.1235 ± 0.0014 Å
• b: 12.0955 ± 0.0015 Å
• c: 13.9828 ± 0.0018 Å
• α: 72.753 ± 0.002°
• β: 82.76 ± 0.002°
• γ: 70.576 ± 0.002°
• Cell volume: 1693.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0282
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No