Information card for entry 7026380

Structure parameters

• Formula: C7 H20 N4 O5 Pd
• Calculated formula: C7 H20 N4 O5 Pd
• SMILES: [Pd]123[NH2]CCN1C(=O)CC(=O)N2CC[NH2]3.O.O.O
• Title of publication: Syntheses, solid state and solution structures of the palladium(II) complexes of malonamide-derived open-chain and macrocyclic ligands.
• Authors of publication: Gavrish, Sergey P.; Lampeka, Yaroslaw D.; Pritzkow, Hans; Lightfoot, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7706 - 7713
• a: 7.3 ± 0.002 Å
• b: 9.177 ± 0.003 Å
• c: 18.573 ± 0.002 Å
• α: 90°
• β: 99.52 ± 0.02°
• γ: 90°
• Cell volume: 1227.1 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No