Information card for entry 4088524

Structure parameters

• Formula: C37 H41 Cl N P Pd
• Calculated formula: C37 H41 Cl N P Pd
• SMILES: [Pd]1(Cl)([P](c2c([N]31c1ccccc1c1ccccc31)cccc2)(C1CCCCC1)C1CCCCC1)c1ccc(cc1)C
• Title of publication: Preparation of a Highly Congested Carbazoyl-Derived P,N-Type Phosphine Ligand for Acetone Monoarylations
• Authors of publication: Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1553
• a: 8.9954 ± 0.0004 Å
• b: 20.3119 ± 0.0008 Å
• c: 17.7366 ± 0.0007 Å
• α: 90°
• β: 93.99 ± 0.003°
• γ: 90°
• Cell volume: 3232.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1286
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No