Information card for entry 4086258

Structure parameters

• Formula: C24 H38 Cl2 N3 O3 P Pd
• Calculated formula: C24 H38 Cl2 N3 O3 P Pd
• SMILES: C1#[N][C@@H](C(C)(C)C)COP(=O)(c2ccccc2)OC[C@H](C(C)(C)C)NC(=[Pd]1(Cl)Cl)N1CCCC1
• Title of publication: Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity
• Authors of publication: Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4515
• a: 12.9145 ± 0.00009 Å
• b: 18.8371 ± 0.0001 Å
• c: 24.4015 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5936.2 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No