Information card for entry 7715155

Structure parameters

• Formula: C84 H138 Ca N8 Ni2 O4
• Calculated formula: C84 H138 Ca N8 Ni2 O4
• 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: 14.0658 ± 0.0011 Å
• b: 15.3664 ± 0.0013 Å
• c: 19.8258 ± 0.0017 Å
• α: 90°
• β: 91.419 ± 0.003°
• γ: 90°
• Cell volume: 4283.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No