Information card for entry 2238076

Structure parameters

• Chemical name: {2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate
• Formula: C19.13 H22.19 Co F6 N4.06 O4 P
• Calculated formula: C19.128 H22.192 Co F6 N4.064 O4 P
• Title of publication: {2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate
• Authors of publication: McLauchlan, Craig C.; Kissel, Daniel S.; Arnold, William R.; Herlinger, Albert W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m296 - m297
• a: 21.8891 ± 0.0007 Å
• b: 10.235 ± 0.0003 Å
• c: 21.9242 ± 0.0007 Å
• α: 90°
• β: 112.802 ± 0.002°
• γ: 90°
• Cell volume: 4527.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes