Information card for entry 7720000

Structure parameters

• Chemical name: NNNNiBr
• Formula: C25 H29 Br2 N5 Ni
• Calculated formula: C25 H29 Br2 N5 Ni
• Title of publication: Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst
• Authors of publication: Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.0447 ± 0.0001 Å
• b: 28.1677 ± 0.0002 Å
• c: 9.3132 ± 0.0001 Å
• α: 90°
• β: 90.348 ± 0.001°
• γ: 90°
• Cell volume: 2372.67 ± 0.04 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.025
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No