Information card for entry 7715229

Structure parameters

• Formula: C22 H36 B2 N8 Ni
• Calculated formula: C22 H36 B2 N8 Ni
• Title of publication: NHC-ligated nickel(II) cyanoborate complexes and salts.
• Authors of publication: Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5391 - 5400
• a: 12.7837 ± 0.0001 Å
• b: 12.1439 ± 0.0001 Å
• c: 17.1982 ± 0.0001 Å
• α: 90°
• β: 95.899 ± 0.001°
• γ: 90°
• Cell volume: 2655.78 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No