Information card for entry 4084234

Structure parameters

• Formula: C29 H52 Br3 Cl6 N4 Pd
• Calculated formula: C29 H52 Br3 Cl6 N4 Pd
• 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: 12.4203 ± 0.0009 Å
• b: 12.4948 ± 0.0009 Å
• c: 14.5961 ± 0.0011 Å
• α: 82.908 ± 0.003°
• β: 72.16 ± 0.002°
• γ: 71.533 ± 0.003°
• Cell volume: 2044.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No