Information card for entry 7035006

Structure parameters

• Formula: C38 H33 Cl2 N3 Pd
• Calculated formula: C38 H33 Cl2 N3 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1C1(c2ccccc2c2ccccc12)CC)C1(c2ccccc2c2ccccc12)CC
• 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: 11.6469 ± 0.0002 Å
• b: 13.7077 ± 0.0002 Å
• c: 20.4229 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3260.56 ± 0.09 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: 0.0289
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No