Information card for entry 4084496

Structure parameters

• Formula: C28 H28 Cl2 F6 N4 O4 Pd
• Calculated formula: C28 H28 Cl2 F6 N4 O4 Pd
• SMILES: ClCCl.[Pd]1(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)=C2N(c3ccccc3N2CCCN2C=1N(C=C2)c1c(cc(cc1C)C)C)C
• 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: 11.5532 ± 0.0014 Å
• b: 16.799 ± 0.002 Å
• c: 15.8611 ± 0.0019 Å
• α: 90°
• β: 98.911 ± 0.002°
• γ: 90°
• Cell volume: 3041.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No