Information card for entry 7002753

Structure parameters

• Formula: C72 H84 Cl4 N16 Ni4 O24
• Calculated formula: C72 H84 Cl4 N16 Ni4 O24
• SMILES: c1cccc2CC[N]34Cc5[n]([Ni]63([O]=C(O[Ni]378[n]9ccccc9CC[N]3(Cc3[n]7cccc3)CCC(=[O]8)O[Ni]378[n]9ccccc9CC[N]3(Cc3[n]7cccc3)CCC(=[O]8)O[Ni]378[n]9ccccc9CC[N]3(Cc3[n]7cccc3)CCC(=[O]8)O6)CC4)[n]12)cccc5.Cl(=O)(=O)(=O)[O-].C(#N)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(#N)C.C(#N)C.C(#N)C
• 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: 17.656 ± 0.005 Å
• b: 17.656 ± 0.005 Å
• c: 13.203 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4116 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No