Information card for entry 7711931

Structure parameters

• Chemical name: [{κP,κC-(i-Pr)2PO-C6H4}{κN-Et2NOH}NiBr]
• Formula: C16 H29 Br N Ni O2 P
• Calculated formula: C16 H29 Br N Ni O2 P
• SMILES: Br[Ni]1([P](Oc2ccccc12)(C(C)C)C(C)C)[O]=N(CC)CC
• Title of publication: Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ^O-hydroxylamine and κ^N-imine adducts and a κ^O, κ^N-aminoxide derivative.
• Authors of publication: Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 366 - 375
• a: 10.312 ± 0.003 Å
• b: 11.182 ± 0.003 Å
• c: 16.878 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.2 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No