Information card for entry 7716232

Structure parameters

• Formula: C21 H36 Br Cl N Ni O2 P
• Calculated formula: C21 H36 Br Cl N Ni O2 P
• SMILES: Br[Ni]1([P](Oc2c1ccc(Cl)c2)(C(C)C)C(C)C)[O]=N1C(C)(C)CCCC1(C)C
• 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: 15.8263 ± 0.0004 Å
• b: 11.6352 ± 0.0003 Å
• c: 14.8354 ± 0.0004 Å
• α: 90°
• β: 114.596 ± 0.001°
• γ: 90°
• Cell volume: 2483.95 ± 0.11 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: 0.0469
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No