Information card for entry 4088219

Structure parameters

• Formula: C24 H26 Cl2 N4 Pd
• Calculated formula: C24 H26 Cl2 N4 Pd
• SMILES: [Pd](=C(Nc1c(C)cccc1C)Nc1cc(N)ccc1)(Cl)(Cl)C#[N]c1c(C)cccc1C
• Title of publication: Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile
• Authors of publication: Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 218
• a: 10.47055 ± 0.00018 Å
• b: 16.1732 ± 0.0002 Å
• c: 13.8427 ± 0.0003 Å
• α: 90°
• β: 98.6656 ± 0.0017°
• γ: 90°
• Cell volume: 2317.4 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No