Information card for entry 1516998

Structure parameters

• Formula: C81 H66 Cl6 Co3 Li2 N6 O7
• Calculated formula: C81 H60 Cl6 Co3 Li2 N6 O7
• Title of publication: Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn
• Authors of publication: Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 401
• Pages of publication: 38 - 49
• a: 20.251 ± 0.001 Å
• b: 20.251 ± 0.001 Å
• c: 32.903 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11685.8 ± 1.1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No