Information card for entry 7013713

Structure parameters

• Chemical name: 3-(4-butylpiperazin-1-yl)-propylamine-nickel(II)-diperchlorate
• Formula: C10 H24 Cl2 N4 Ni O8
• Calculated formula: C10 H24 Cl2 N4 Ni O8
• SMILES: [Ni]123[N]4(CC[N]1(CCC[NH2]2)CC4)CCC[NH2]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The influence of the boat-to-chair conversion on the demetallation of the nickel(II) complex of an open-chain tetramine containing a piperazine fragment.
• Authors of publication: Boiocchi, Massimo; Bonizzoni, Marco; Fabbrizzi, Luigi; Foti, Francesco; Licchelli, Maurizio; Taglietti, Angelo; Zema, Michele
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 653 - 658
• a: 14.4256 ± 0.0022 Å
• b: 15.3904 ± 0.0023 Å
• c: 16.1714 ± 0.0024 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3590.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No