Information card for entry 2236319

Structure parameters

• Chemical name: {2,6-Bis[(2,6-diisopropylphosphanyl)oxy]-4-fluorophenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(1<i>H</i>-pyrazole- κ<i>N</i>^2^)nickel(II) hexafluorophosphate
• Formula: C21 H34 F7 N2 Ni O2 P3
• Calculated formula: C21 H34 F7 N2 Ni O2 P3
• SMILES: [Ni]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)cc(F)c3)(C(C)C)C(C)C)[n]1[nH]ccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: {2,6-Bis[(2,6-diisopropylphosphanyl)oxy]-4-fluorophenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) hexafluorophosphate
• Authors of publication: Kwan, Man-Lung; Conry, Sara J.; Carfagna, Charles S.; Press, Loren P.; Ozerov, Oleg V.; Hoffman, Norris W.; Sykora, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1282 - m1283
• a: 9.038 ± 0.0009 Å
• b: 20.1878 ± 0.0016 Å
• c: 16.148 ± 0.0016 Å
• α: 90°
• β: 98.659 ± 0.008°
• γ: 90°
• Cell volume: 2912.7 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes