Information card for entry 7022752

Structure parameters

• Formula: C37 H26 Co N2 O6
• Calculated formula: C37 H26 Co N2 O6
• SMILES: [Co]123([O]=C4C(O2)=CC(=O)c2c4cccc2)(OC2C(=[O]1)c1ccccc1C(=O)C=2)[n]1ccccc1c1[n]3cccc1.c1ccc(cc1)C
• 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: 7.542 ± 0.0004 Å
• b: 12.2546 ± 0.0008 Å
• c: 15.9401 ± 0.0011 Å
• α: 96.822 ± 0.005°
• β: 90.829 ± 0.005°
• γ: 90.052 ± 0.005°
• Cell volume: 1462.66 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0868
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No