Information card for entry 7000715

Structure parameters

• Formula: C41 H46 Br0.57 Cl1.43 N4 Pd
• Calculated formula: C41 H33 Br0.572 Cl1.428 N4 Pd
• Title of publication: Canopied trans-chelating bis(N-heterocyclic carbene) ligand: synthesis, structure and catalysis
• Authors of publication: Morgan, Brad P.; Galdamez, Gabriela A.; Gilliard, Jr., Robert J.; Smith, Rhett C.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 2020 - 2028
• a: 10.392 ± 0.002 Å
• b: 13.675 ± 0.003 Å
• c: 15.092 ± 0.003 Å
• α: 109.66 ± 0.03°
• β: 91.31 ± 0.03°
• γ: 111.21 ± 0.03°
• Cell volume: 1857.2 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No