Information card for entry 2202477

Structure parameters

• Chemical name: [2,9-bis(cyclooctane-1,5-diyl)-4,6,11,13-tetraethyl-1,3,8,10-tetraoxa- 4,7,11,14-tetraaza-2,9-diboracyclotetradecane-4,6,11,13-tetraene- κ^4^N]nickel(II)
• Formula: C28 H48 B2 N4 Ni O4
• Calculated formula: C28 H48 B2 N4 Ni O4
• SMILES: C1(C(CC)=[N]2[Ni]34[N]=1O[B]1(C5CCCC1CCC5)O[N]4=C(C(CC)=[N]3O[B]1(C3CCCC1CCC3)O2)CC)CC
• Title of publication: Bis-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: m748 - m749
• a: 7.4047 ± 0.0001 Å
• b: 19.2467 ± 0.0002 Å
• c: 10.5508 ± 0.0002 Å
• α: 90°
• β: 94.7398 ± 0.0005°
• γ: 90°
• Cell volume: 1498.52 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes