Information card for entry 2213327

Structure parameters

• Chemical name: {N-[N,N-Bis(2-aminoethyl)amino]ethanaminium]}nickel(II)] hexacyanidoferrate(II)
• Formula: C18 H38 Fe N14 Ni
• Calculated formula: C18 H38 Fe N14 Ni
• SMILES: C1C[N]2(CC[NH2][Ni]342([NH2]1)[NH2]CC[N]4(CC[NH2]3)CC[NH3+])CC[NH3+].[Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#N
• Title of publication: Bis{2-[<i>N</i>,<i>N</i>-bis(2-aminoethyl)amino]ethanaminium}nickel(II) hexacyanidoferrate(II)
• Authors of publication: Yue-Juan Yao; Hui-Ming Shu; Chuan-Qin Du; Huai-Ming Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1208 - m1210
• a: 8.6744 ± 0.0017 Å
• b: 8.7883 ± 0.0018 Å
• c: 9.3802 ± 0.0019 Å
• α: 92.45 ± 0.03°
• β: 99.7 ± 0.03°
• γ: 119.56 ± 0.03°
• Cell volume: 606.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes