Information card for entry 7034213

Structure parameters

• Formula: C37 H47 N5 Pd
• Calculated formula: C37 H47 N5 Pd
• SMILES: C1c2ccc3CN(C)Cc4ccc5C=[N](c6c(cccc6C(C)C)C(C)C)[Pd]([N]=1c1c(cccc1C(C)C)C(C)C)(n23)n45
• Title of publication: Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.
• Authors of publication: Kumar, Rajnish; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6896 - 6908
• a: 10.34 ± 0.005 Å
• b: 15.075 ± 0.008 Å
• c: 22.169 ± 0.011 Å
• α: 88.651 ± 0.016°
• β: 82.564 ± 0.017°
• γ: 86.454 ± 0.016°
• Cell volume: 3420 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No