Information card for entry 4024952

Structure parameters

• Formula: C32 H46 Cl4 N2 O4 Pd
• Calculated formula: C32 H46 Cl4 N2 O4 Pd
• Title of publication: Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes
• Authors of publication: Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8441 - 8443
• a: 23.8516 ± 0.0008 Å
• b: 12.797 ± 0.0004 Å
• c: 24.0205 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7331.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No