Information card for entry 7720001

Structure parameters

• Chemical name: NNNNiCl2
• Formula: C16 H15 Cl2 N3 Ni O
• Calculated formula: C16 H15 Cl2 N3 Ni O
• 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: 9.31157 ± 0.00005 Å
• b: 6.89229 ± 0.00004 Å
• c: 25.41149 ± 0.00018 Å
• α: 90°
• β: 92.3034 ± 0.0006°
• γ: 90°
• Cell volume: 1629.54 ± 0.017 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 6
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No