Information card for entry 2202476

Structure parameters

• Chemical name: [7-(cyclooctane-1,5-diyl)-2,3,11,12-tetraethyl-6,8-dioxa-5,9-diaza-7- boratridecane-1,13-dicarbaldehyde dioximato-κ^4^N]nickel(II)
• Formula: C20 H35 B N4 Ni O4
• Calculated formula: C20 H35 B N4 Ni O4
• SMILES: [Ni]123[N](O[B]4(O[N]2=C(C(=[N]3O)CC)CC)C2CCCC4CCC2)=C(C(=N1=O)CC)CC
• Title of publication: Mono-BBN (9-borabicyclo[3.3.1]nonane) adduct of bis(diethylglyoximato)nickel(II)
• Authors of publication: Krivokapić, Alexander; Faiz, Jonathan A.; Anderson, Harry L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m745 - m747
• a: 11.521 ± 0.0002 Å
• b: 14.8794 ± 0.0002 Å
• c: 14.9455 ± 0.0003 Å
• α: 79.4462 ± 0.0006°
• β: 70.0605 ± 0.0007°
• γ: 69.4812 ± 0.0011°
• Cell volume: 2249.76 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0385
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes