Information card for entry 4313642

Structure parameters

• Formula: C22 H40 Cl2 Cu N8 Ni2 O17
• Calculated formula: C22 H38 Cl2 Cu N8 Ni2 O17
• SMILES: [Cu]123([O]=C4C(O[Ni]56(O4)([NH2]CCC[NH]5CCC[NH2]6)[OH2])=[N]2c2ccccc2[N]3=C2C(O1)=[O][Ni]13(O2)([NH2]CCC[NH]1CCC[NH2]3)[OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Oxamato-Bridged Trinuclear NiIICuIINiII Complexes: A New (NiIICuIINiII)2 Hexanuclear Complex and Supramolecular Structures. Characterization and Magnetic Properties
• Authors of publication: Javier Tercero; Carmen Diaz; Joan Ribas; Miguel Maestro; José Mahía; Helen Stoeckli-Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3366 - 3373
• a: 9.9641 ± 0.0001 Å
• b: 12.8338 ± 0.0001 Å
• c: 28.1215 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3596.1 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No