Information card for entry 2217849

Structure parameters

• Chemical name: Tetrakis[3-(2-pyridylamino)pyridine-κN]nickel(II) bis(perchlorate) ethanol disolvate
• Formula: C44 H48 Cl2 N12 Ni O10
• Calculated formula: C44 H48 Cl2 N12 Ni O10
• SMILES: c1[n](cccc1Nc1ccccn1)[Ni]([n]1cc(Nc2ncccc2)ccc1)([n]1cc(ccc1)Nc1ccccn1)[n]1cc(Nc2ncccc2)ccc1.[O-]Cl(=O)(=O)=O.OCC.[O-]Cl(=O)(=O)=O.OCC
• Title of publication: Tetrakis[3-(2-pyridylamino)pyridine-κ<i>N</i>]nickel(II) diperchlorate ethanol disolvate
• Authors of publication: Wang, Zhi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m540
• a: 27.767 ± 0.004 Å
• b: 10.7067 ± 0.0014 Å
• c: 18.144 ± 0.002 Å
• α: 90°
• β: 115.891 ± 0.009°
• γ: 90°
• Cell volume: 4852.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes