Information card for entry 7044584

Structure parameters

• Formula: C36 H51 Cl2 N3 Pd
• Calculated formula: C36 H51 Cl2 N3 Pd
• SMILES: [Pd](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)[N](C)(C)Cc1ccccc1
• Title of publication: Effect on Orthometallation of NHC Palladium Complexes toward the Catalytic Activity Studies in Suzuki Coupling Reaction
• Authors of publication: Chen, Ming-Tsz; Kao, Zing-Lun
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.776 ± 0.0005 Å
• b: 12.5569 ± 0.0005 Å
• c: 13.3141 ± 0.0006 Å
• α: 90°
• β: 98.3808 ± 0.0017°
• γ: 90°
• Cell volume: 1782.33 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No