Information card for entry 4312920

Structure parameters

• Formula: C22 H36 Cl2 N6 O10 Zn2
• Calculated formula: C22 H36 Cl2 N6 O10 Zn2
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Zn]1234[O](c5ccccc5C[N]3(CC[NH2]4)CC[NH2]2)[Zn]234[O]1c1ccccc1C[N]2(CC[NH2]3)CC[NH2]4
• Title of publication: Ni(II), Cu(II), and Zn(II) Dinuclear Metal Complexes with an Aza-Phenolic Ligand: Crystal Structures, Magnetic Properties, and Solution Studies
• Authors of publication: Elisabetta Berti; Andrea Caneschi; Carole Daiguebonne; Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 348 - 357
• a: 9.467 ± 0.001 Å
• b: 13.846 ± 0.001 Å
• c: 11.616 ± 0.001 Å
• α: 90°
• β: 95.205 ± 0.007°
• γ: 90°
• Cell volume: 1516.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No