Information card for entry 8102249

Structure parameters

• Chemical name: {[Bis(N-salicylidene-κO-β-alaninato-κN:κO')cobaltate(III)] -trans-μ-tetraaquacobalt(II)-κ^2^O,O'} ethanol-water solvate (1.5/3.5)
• Formula: C43 H52.5 Co3 N4 O21
• Calculated formula: C43 H52.5 Co3 N4 O21
• Title of publication: Crystal structure of {bis[bis(N-salicylidene-κO-β-alaninato-κN:κO')-cobaltate(III)]-trans-µ-[tetraaquacobalt(III)- κ2O,O'] ethanolate- ethanol- water (1:0.5:3.5), [(Co(H2O)4)(Co(C10H9NO3)2)2][C2H5O] · 0.5C2H5OH · 3.5H2O
• Authors of publication: Ján Vanco; Jaromír Marek
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 197
• a: 37.207 ± 0.002 Å
• b: 9.5043 ± 0.0005 Å
• c: 13.5949 ± 0.0009 Å
• α: 90°
• β: 102.43 ± 0.02°
• γ: 90°
• Cell volume: 4694.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No