Information card for entry 4089327

Structure parameters

• Formula: C15 H26 Cl N3 O4 Pd
• Calculated formula: C15 H26 Cl N3 O4 Pd
• SMILES: [Pd]1([NH]=C(C)C)([N](C)(C)Cc2c1cccc2)[NH]=C(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)
• Authors of publication: Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 4912
• a: 9.079 ± 0.001 Å
• b: 9.55 ± 0.001 Å
• c: 12.546 ± 0.001 Å
• α: 81.11°
• β: 73.44 ± 0.01°
• γ: 66.15 ± 0.01°
• Cell volume: 952.68 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No