Information card for entry 2233079

Structure parameters

• Chemical name: Bis[μ~3~-<i>N</i>'-oxidopyridine-2-carboximidamidato(2-)]bis[μ~2~-<i>N</i>'- oxidopyridine-2-carboximidamidato(1-)]tetrapyridinetetranickel(II) dinitrate
• Formula: C44 H42 N18 Ni4 O10
• Calculated formula: C44 H42 N18 Ni4 O10
• SMILES: c1cccc2C3=[N]4[Ni]5([n]12)([n]1ccccc1)([n]1ccccc1)O[N]1=C(N)c2[n](cccc2)[Ni]21NC1=[N]([O]52)[Ni]2([n]5ccccc15)([n]1ccccc1)([n]1ccccc1)O[N]1=C(N)c5[n](cccc5)[Ni]1(N3)[O]42.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis[μ~3~-<i>N</i>'-oxidopyridine-2-carboximidamidato(2{-})]bis[μ~2~-<i>N</i>'-oxidopyridine-2-carboximidamidato(1{-})]tetrapyridinetetranickel(II) dinitrate
• Authors of publication: Deng, Xiao-Hui; Ran, Jing-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m40
• a: 10.4356 ± 0.0006 Å
• b: 10.719 ± 0.0008 Å
• c: 11.2908 ± 0.0009 Å
• α: 92.041 ± 0.006°
• β: 98.24 ± 0.005°
• γ: 100.87 ± 0.005°
• Cell volume: 1224.96 ± 0.15 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: 0.0624
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes