Information card for entry 2202272

Structure parameters

• Chemical name: (N,N'-bis(2-pyridylmethyl)oxamide)palladium(II) hydrate chloroform hemisolvate
• Formula: C14.5 H14.5 Cl1.5 N4 O3 Pd
• Calculated formula: C14.5 H14.5 Cl1.5 N4 O3 Pd
• SMILES: [Pd]123[n]4ccccc4CN1C(=O)C(=O)N2Cc1cccc[n]31.O.C(Cl)(Cl)Cl
• Title of publication: [<i>N,N</i>'-Bis(2-pyridylmethyl)oxamidato]palladium(II) monohydrate chloroform hemisolvate
• Authors of publication: Reger, Daniel L.; Smith, Delia M. Ciurtin; Shimizu, Ken D.; Smith, Mark D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m652 - m654
• a: 7.3145 ± 0.0005 Å
• b: 10.2252 ± 0.0006 Å
• c: 21.7212 ± 0.0014 Å
• α: 80.233 ± 0.002°
• β: 89.126 ± 0.002°
• γ: 82.418 ± 0.002°
• Cell volume: 1586.99 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes