Information card for entry 7711930

Structure parameters

• Chemical name: [{κP,κC-(i-Pr)2PO-(5-Cl-C6H3)}{κN-(CH3CH2-)(CH3CH=)N}Ni(Br)]
• Formula: C16 H26 Br Cl N Ni O P
• Calculated formula: C16 H26 Br Cl N Ni O P
• SMILES: Br[Ni]1([P](Oc2c1ccc(Cl)c2)(C(C)C)C(C)C)[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: 8.1691 ± 0.0004 Å
• b: 10.6197 ± 0.0005 Å
• c: 11.5954 ± 0.0005 Å
• α: 85.083 ± 0.002°
• β: 83.391 ± 0.003°
• γ: 89.3 ± 0.003°
• Cell volume: 995.58 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No