Information card for entry 7034214

Structure parameters

• Formula: C32 H37 Cl2 N5 O Pd
• Calculated formula: C32 H37 Cl2 N5 O Pd
• SMILES: CC(C)c1cccc(C(C)C)c1[N]1=Cc2ccc(C[NH+](C)Cc3ccc(C=O)[nH]3)n2[Pd]1(Cl)Cl.C(#N)c1ccccc1
• 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: 9.7397 ± 0.001 Å
• b: 10.5677 ± 0.001 Å
• c: 17.2217 ± 0.0017 Å
• α: 77.782 ± 0.003°
• β: 78.771 ± 0.003°
• γ: 84.951 ± 0.003°
• Cell volume: 1697.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No