Information card for entry 7004369

Structure parameters

• Common name: Ni(EDA-mim)2 dihydrate
• Chemical name: Ni(EDA-mim)2 dihydrate
• Formula: C20 H32 N6 Ni O10
• Calculated formula: C20 H32 N6 Ni O10
• SMILES: C1(=O)O[Ni]234([N](C1)(CC(=O)O3)CCn1c[n+](C)cc1)[N](CC(=O)O2)(CC(=O)O4)CCn1c[n+](cc1)C.O.O
• Title of publication: Removal of metal ions from aqueous solutions using chelating task-specific ionic liquids
• Authors of publication: Harjani, Jitendra R.; Friščić, Tomislav; MacGillivray, Leonard R.; Singer, Robert D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4595
• a: 11.2988 ± 0.0011 Å
• b: 10.0381 ± 0.001 Å
• c: 21.557 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2445 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No