Information card for entry 7716237

Structure parameters

• Formula: C22 H39 Br0.25 Cl0.75 N Ni O3 P
• Calculated formula: C22 H39 Br0.25 Cl0.75 N Ni O3 P
• Title of publication: Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.
• Authors of publication: Sarker, Rajib K.; Zargarian, Davit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10208 - 10219
• a: 11.927 ± 0.0005 Å
• b: 14.1466 ± 0.0006 Å
• c: 29.5812 ± 0.0012 Å
• α: 90°
• β: 98.95 ± 0.002°
• γ: 90°
• Cell volume: 4930.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No