Information card for entry 1512890

Structure parameters

• Formula: C40.75 H41 Cl Co N3 Na O12.25
• Calculated formula: C40.75 H41 Cl Co N3 Na O12.25
• SMILES: c12c3cccc1C=[N]1[C@H]([C@H]([N]4=Cc5c6[O]7[Co]814([n]1ccccc1)[O]2[Na]7([OH2])([OH]C(C)C)([O]3C)([O]=C(O8)C)[O](c6ccc5)C)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.O=C(C)C
• Title of publication: Cobalt(III) Schiff base complexes derived from mesostilbenediamine: Synthesis, characterization, crystal structure, electrochemistry and antibacterial studies
• Authors of publication: Hasti Iranmanesh; Mahdi Behzad; Giuseppe Bruno; Hadi Amiri Rudbari; Hossein Nazari; Abolfazl Mohammadi; Omid Taheri
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 81 - 88
• a: 12.698 ± 0.003 Å
• b: 15.413 ± 0.003 Å
• c: 23.105 ± 0.005 Å
• α: 90°
• β: 93.42 ± 0.01°
• γ: 90°
• Cell volume: 4513.9 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No