Information card for entry 7002756

Structure parameters

• Formula: C51 H59 Cl4 Cu4 N9 O38
• Calculated formula: C51 H59 Cl4 Cu4 N9 O38
• SMILES: [Cu]1234OC(=O)CC[N]4(Cc4[n]3cccc4)CCC(=[O]1)O[Cu]134OC(=O)CC[N]4(Cc4[n]3cccc4)CCC(=[O]1)O[Cu]134OC(=O)CC[N]4(Cc4[n]3cccc4)CCC(=[O]1)O[Cu]134OC(=O)CC[N]3(Cc3[n]4cccc3)CCC(=[O]1)O2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.OC.N#CC
• Title of publication: Molecular squares of Ni(II) and Cu(II): ferromagnetic exchange interaction mediated by syn-anti carboxylate-bridging.
• Authors of publication: Arora, Himanshu; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9759 - 9769
• a: 10.96 ± 0.005 Å
• b: 14.823 ± 0.005 Å
• c: 25.883 ± 0.005 Å
• α: 76.241 ± 0.005°
• β: 87.467 ± 0.005°
• γ: 68.532 ± 0.005°
• Cell volume: 3797 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1725
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No