Information card for entry 7711935

Structure parameters

• Formula: C27 H33 Br N Ni O2 P
• Calculated formula: C27 H33 Br N Ni O2 P
• SMILES: Br[Ni]1([P](Oc2c1ccc(OC)c2)(C(C)C)C(C)C)[N](=Cc1ccccc1)Cc1ccccc1
• 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: 13.143 ± 0.0003 Å
• b: 15.5918 ± 0.0004 Å
• c: 13.1678 ± 0.0003 Å
• α: 90°
• β: 103.571 ± 0.001°
• γ: 90°
• Cell volume: 2623.05 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0276
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No