Information card for entry 7022751

Structure parameters

• Formula: C59 H36 Co2 N8 O12
• Calculated formula: C59 H36 Co2 N8 O12
• 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: 8.2264 ± 0.0004 Å
• b: 11.011 ± 0.0007 Å
• c: 15.2164 ± 0.0008 Å
• α: 72.632 ± 0.005°
• β: 78.902 ± 0.004°
• γ: 82.156 ± 0.005°
• Cell volume: 1286.27 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No