Information card for entry 2235246

Structure parameters

• Chemical name: Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine- κ<i>N</i>}cobalt(II) dinitrate
• Formula: C32 H38 Co N12 O6
• Calculated formula: C32 H38 Co N12 O6
• SMILES: c1(cc(C)n2[n]1[Co]134([n]5c(cc(n5C2c2[n]1cccc2)C)C)[n]1c(cc(C)n1C(n1c(cc(C)[n]31)C)c1[n]4cccc1)C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}cobalt(II) dinitrate
• Authors of publication: Xiao, Chao-Hu; Song, Xue-Yan; Sun, Zan; Cao, Ping; Pang, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m857
• a: 17.7 ± 0.014 Å
• b: 10.965 ± 0.009 Å
• c: 18.37 ± 0.02 Å
• α: 90°
• β: 90.431 ± 0.006°
• γ: 90°
• Cell volume: 3565 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No