Information card for entry 7006803

Structure parameters

• Formula: C26 H26 Cl Co N4 O6
• Calculated formula: C26 H26 Cl Co N4 O6
• SMILES: c1c2C[NH]3Cc4ccccc4O[Co]453([n]2ccc1)[n]1ccccc1C[NH]4Cc1ccccc1O5.[O-]Cl(=O)(=O)=O
• Title of publication: Structural, spectroscopic, and electrochemical behavior of trans-phenolato cobalt(III) complexes of asymmetric NN'O ligands as archetypes for metallomesogens.
• Authors of publication: Shakya, Rajendra; Imbert, Camille; Hratchian, Hrant P.; Lanznaster, Mauricio; Heeg, Mary Jane; McGarvey, Bruce R.; Allard, Marco; Schlegel, H. Bernhard; Verani, Claudio N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2517 - 2525
• a: 20.2884 ± 0.0015 Å
• b: 8.4867 ± 0.0007 Å
• c: 15.4068 ± 0.0012 Å
• α: 90°
• β: 109.344 ± 0.002°
• γ: 90°
• Cell volume: 2503 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No