Information card for entry 2020606

Structure parameters

• Chemical name: (μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-cyclohexyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]cobalt(II)} acetonitrile disolvate
• Formula: C68 H98 B2 Co2 N14 O4
• Calculated formula: C68 H98 B2 Co2 N14 O4
• Title of publication: New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand
• Authors of publication: Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 777 - 785
• a: 13.175 ± 0.007 Å
• b: 13.672 ± 0.007 Å
• c: 19.571 ± 0.01 Å
• α: 77.203 ± 0.007°
• β: 80.89 ± 0.007°
• γ: 89.522 ± 0.007°
• Cell volume: 3393 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1678
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes