Information card for entry 7054009

Structure parameters

• Formula: C48 H48 Co N12 O8
• Calculated formula: C48 H48 Co N12 O8
• Title of publication: Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination
• Authors of publication: Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1458
• a: 17.158 ± 0.003 Å
• b: 17.158 ± 0.003 Å
• c: 15.91 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4683.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No