Information card for entry 4333637

Structure parameters

• Chemical name: trans-bis(imidazole)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) tetraphenylborate ethanol solvate
• Formula: C44 H51 B Co N6 O3
• Calculated formula: C43.5 H51 B Co N6 O3
• Title of publication: Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics
• Authors of publication: Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1069 - 1076
• a: 9.6818 ± 0.0005 Å
• b: 14.556 ± 0.0008 Å
• c: 14.371 ± 0.0008 Å
• α: 90°
• β: 98.273 ± 0.002°
• γ: 90°
• Cell volume: 2004.2 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No