Information card for entry 4084233

Structure parameters

• Formula: C19 H30 Br2 N4 O2 Pd
• Calculated formula: C19 H30 Br2 N4 O2 Pd
• SMILES: [Pd](Br)(Br)([NH]1CCOCC1)=C1N(N(c2c1cccc2)C)CCCN1CCOCC1
• 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: 10.5073 ± 0.0012 Å
• b: 12.8755 ± 0.0014 Å
• c: 17.273 ± 0.002 Å
• α: 90°
• β: 107.541 ± 0.002°
• γ: 90°
• Cell volume: 2228.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No