Information card for entry 7720002

Structure parameters

• Chemical name: NNNiCl2_pyro
• Formula: C11.5 H12.5 Cl N2.5 Ni0.5
• Calculated formula: C11.5 H12.5 Cl N2.5 Ni0.5
• 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: 11.1625 ± 0.0001 Å
• b: 12.3317 ± 0.0001 Å
• c: 15.6518 ± 0.0002 Å
• α: 90°
• β: 101.791 ± 0.001°
• γ: 90°
• Cell volume: 2109.05 ± 0.04 ų
• Cell temperature: 99.97 ± 0.19 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No