Information card for entry 7715154

Structure parameters

• Formula: C83.2 H136.4 Br0.1 Mg0.95 N7.8 Ni2 O3.8
• Calculated formula: C83.2 H136.4 Br0.1 Mg0.95 N7.8 Ni2 O3.8
• Title of publication: Alkaline earth metal-assisted dinitrogen activation at nickel.
• Authors of publication: Knoell, Theresa; Polanco, Jocelyn; MacMillan, Samantha N.; Bertke, Jeffery A.; Foroutan-Nejad, Cina; Lancaster, Kyle M.; 'Gus' Bakhoda, Abolghasem
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4689 - 4697
• a: 14.0458 ± 0.0007 Å
• b: 15.2331 ± 0.0008 Å
• c: 19.6481 ± 0.001 Å
• α: 90°
• β: 91.204 ± 0.002°
• γ: 90°
• Cell volume: 4203 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No