Information card for entry 7715227

Structure parameters

• Formula: C66 H98 B2 F0 N8 Ni2 O6
• Calculated formula: C66 H98 B2 N8 Ni2 O6
• 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: 11.5985 ± 0.0001 Å
• b: 14.4915 ± 0.0001 Å
• c: 20.77 ± 0.0001 Å
• α: 90°
• β: 91.511 ± 0.001°
• γ: 90°
• Cell volume: 3489.8 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No