Information card for entry 4084235

Structure parameters

• Formula: C27 H50 Br2 N4 Pd
• Calculated formula: C27 H50 Br2 N4 Pd
• SMILES: [Pd](Br)(Br)([NH](CC(C)C)CC(C)C)=C1N(N(c2c1cccc2)C)CCCN(CC(C)C)CC(C)C
• Title of publication: Amine-Functionalized Indazolin-3-ylidene Complexes of Palladium(II) by Postmodification of a Single Precursor
• Authors of publication: Bernhammer, Jan C.; Singh, Harvenjit; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4295
• a: 9.813 ± 0.003 Å
• b: 13.609 ± 0.004 Å
• c: 23.352 ± 0.006 Å
• α: 90°
• β: 96.238 ± 0.006°
• γ: 90°
• Cell volume: 3100.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No