Information card for entry 2005662

Structure parameters

• Chemical name: μ-{N,N,N',N'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2- ethylenediamine}-bis[aquanitratonickel(II)] dinitrate dimethanol solvate.
• Formula: C32 H60 N14 Ni2 O16
• Calculated formula: C32 H60 N14 Ni2 O16
• SMILES: c1(C)[n]2n(CC[N]3(CCn4c(cc(C)[n]4[Ni]423(ON(=O)=[O]4)[OH2])C)CC[N]23CCn4c(cc(C)[n]4[Ni]43([n]3c(cc(C)n3CC2)C)(ON(=O)=[O]4)[OH2])C)c(c1)C.CO.N(=O)(=O)[O-].CO.N(=O)(=O)[O-]
• Title of publication: A Dinuclear Nickel(II) Compound: μ-{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine}-bis[aqua(nitrato-<i>O</i>,<i>O</i>')nickel(II)] Dinitrate Dimethanol Solvate
• Authors of publication: Veldman, N.; Spek, A. L.; Tabbì, G.; Driessen, W. L.; Reedijk, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2698 - 2701
• a: 12.245 ± 0.0012 Å
• b: 10.3134 ± 0.0012 Å
• c: 18.77 ± 0.003 Å
• α: 90°
• β: 106.53 ± 0.012°
• γ: 90°
• Cell volume: 2272.5 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1647
• Weighted residual factors for significantly intense reflections: 0.1647
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No