Information card for entry 4340245

Structure parameters

• Formula: C33 H41 N7 Ni O11
• Calculated formula: C33 H41 N7 Ni O11
• SMILES: [Ni]123[N](=Cc4c(O1)cccc4)CCN3C(=O)c1c(O2)c(OC)ccc1.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[NH2+]1CCCCC1.[NH2+]1CCCCC1
• Title of publication: Synthesis, structures, and magnetic properties of tetranuclear CuII-LnIII complexes.
• Authors of publication: Costes, Jean-Pierre; Auchel, Magali; Dahan, Françoise; Peyrou, Viviane; Shova, Sergiu; Wernsdorfer, Wolfgang
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1924 - 1934
• a: 11.076 ± 0.0009 Å
• b: 21.4542 ± 0.0017 Å
• c: 15.3362 ± 0.0014 Å
• α: 90°
• β: 101.474 ± 0.01°
• γ: 90°
• Cell volume: 3571.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No