Information card for entry 7716233

Structure parameters

• Formula: C21 H30 Br N6 Ni O P
• Calculated formula: C21 H30 Br N6 Ni O P
• Title of publication: Reactions of cyclonickelated complexes with hydroxyl amines and TEMPO• : isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants
• Authors of publication: Sarker, Rajib Kumar; Zargarian, Davit
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.1454 ± 0.0004 Å
• b: 27.5501 ± 0.0011 Å
• c: 9.8982 ± 0.0004 Å
• α: 90°
• β: 102.159 ± 0.002°
• γ: 90°
• Cell volume: 2437.97 ± 0.18 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: 0.0445
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No