Information card for entry 7035005

Structure parameters

• Formula: C38 H35 Cl2 N3 Pd
• Calculated formula: C38 H35 Cl2 N3 Pd
• SMILES: [Pd](=C1N(CCN1C1(c2ccccc2c2ccccc12)CC)C1(c2ccccc2c2ccccc12)CC)(Cl)(Cl)[n]1ccccc1
• Title of publication: N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.
• Authors of publication: Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9260 - 9268
• a: 11.6715 ± 0.0002 Å
• b: 13.6877 ± 0.0002 Å
• c: 20.5488 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3282.79 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No