Information card for entry 4313137

Structure parameters

• Formula: C12 H16 Cl2 N3 O Pd
• Calculated formula: C12 H16 Cl2 N3 O Pd
• SMILES: [Pd]1([N]2=C(c3[n]1cccc3)[N](=O)C(C2(C)C)(C)C)(Cl)Cl
• Title of publication: Metal-Dependent Ferro- Versus Antiferromagnetic Interactions in Molecular Crystals of Square Planar {M(II) Imino-Nitroxide Radical} Complexes (M = Pt, Pd)
• Authors of publication: Mohammed Fettouhi; Bassam El Ali; Mohammed Morsy; Stéphane Golhen; Lahcène Ouahab; Boris Le Guennic; Jean-Yves Saillard; Nathalie Daro; Jean-Pascal Sutter; Edmond Amouyal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1316 - 1321
• a: 7.973 ± 0.0002 Å
• b: 10.1806 ± 0.0003 Å
• c: 17.7171 ± 0.0004 Å
• α: 90°
• β: 95.747 ± 0.002°
• γ: 90°
• Cell volume: 1430.87 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No