Information card for entry 2243643

Structure parameters

• Common name: Bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)
• Formula: C24 H20 N10 Ni
• Calculated formula: C24 H20 N10 Ni
• SMILES: C(#N)[Ni](C#N)(C#N)C#N.c1(cccc[nH+]1)Nc1ccccn1.c1(cccc[nH+]1)Nc1ccccn1
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)
• Authors of publication: Setifi, Zouaoui; Ferjani, Hela; Setifi, Fatima; Ezzine, Safa; Al-Douh, Mohammed Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1794 - 1798
• a: 7.1046 ± 0.0004 Å
• b: 9.1467 ± 0.0004 Å
• c: 9.3833 ± 0.0004 Å
• α: 100.182 ± 0.002°
• β: 98.729 ± 0.002°
• γ: 97.444 ± 0.002°
• Cell volume: 585.49 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes