Information card for entry 4088220

Structure parameters

• Formula: C26 H24 Cl6 N6 Pd
• Calculated formula: C26 H24 Cl6 N6 Pd
• 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: 13.9639 ± 0.0008 Å
• b: 15.2591 ± 0.0009 Å
• c: 15.1561 ± 0.0009 Å
• α: 90°
• β: 103.17 ± 0.004°
• γ: 90°
• Cell volume: 3144.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No