Information card for entry 7009576

Structure parameters

• Common name: [Ni(edda)(H2O)]xH2O
• Formula: C18 H30 N2 Ni O6
• Calculated formula: C18 H26 N2 Ni O6
• SMILES: [Ni]123(OC(=O)[C@@H]4[N]2(CC[N]23[C@@H](C(=O)O1)C[C@H]1CCC[C@@H]21)[C@H]1[C@@H](C4)CCC1)[OH2].O
• Title of publication: Preparation of an enantiomerically pure helical nickel(II) complex using a new chiral tetradentate ligand derived from an industrial waste material †
• Authors of publication: Pennemann, Helmut; Wassmann, Suzanne; Wilken, Jörg; Gröger, Harald; Wallbaum, Sabine; Kossenjans, Michael; Haase, Detlev; Saak, Wolfgang; Pohl, Siegfried; Martens, Jürgen
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2467
• a: 7.302 ± 0.001 Å
• b: 15.216 ± 0.001 Å
• c: 8.925 ± 0.001 Å
• α: 90°
• β: 104.86 ± 0.01°
• γ: 90°
• Cell volume: 958.47 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No