Information card for entry 2236337

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>){bis[(2,4-dimethyl-1<i>H</i>- pyrazol-1-yl)methyl][(pyridin-2-yl)methyl]amine}cobalt(II) hexafluoridophosphate
• Formula: C20 H27 Co F6 N6 O2 P
• Calculated formula: C20 H27 Co F6 N6 O2 P
• SMILES: [Co]123(OC(=O)C)[N](Cn4[n]1c(cc4C)C)(Cc1[n]2cccc1)Cn1[n]3c(cc1C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (Acetato-κ<i>O</i>){bis[(2,4-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl][(pyridin-2-yl)methyl]amine}cobalt(II) hexafluoridophosphate
• Authors of publication: Yu, Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1249
• a: 13.7489 ± 0.0006 Å
• b: 13.0185 ± 0.0005 Å
• c: 15.4765 ± 0.0007 Å
• α: 90°
• β: 115.759 ± 0.006°
• γ: 90°
• Cell volume: 2494.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes