Information card for entry 7022753

Structure parameters

• Formula: C30 H18 Co N2 O6
• Calculated formula: C30 H18 Co N2 O6
• SMILES: C12C(=CC(=O)c3c1cccc3)O[Co]13([O]=2)([n]2c(c4[n]1cccc4)cccc2)[O]=C1C(=CC(=O)c2c1cccc2)O3
• Title of publication: Cobalt lawsone complexes: searching for new valence tautomers.
• Authors of publication: Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5462 - 5470
• a: 19.559 ± 0.005 Å
• b: 14.772 ± 0.005 Å
• c: 8.378 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2420.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No