Information card for entry 4304181

Structure parameters

• Formula: C36 H31 Co N10 O4
• Calculated formula: C36 H31 Co N10 O4
• SMILES: [Co]123(N(C(=O)c4[n]2cccc4)c2ncccc2)([n]2c(C(=O)N1c1ncccc1)cccc2)N(c1ncccc1)C(=O)c1[n]3cccc1.O=CN(C)C
• Title of publication: Cobalt Coordination Induced Functionalized Molecular Clefts: Isolation of {CoIII-ZnII} Heterometallic Complexes and Their Applications in Beckmann Rearrangement Reactions
• Authors of publication: Anurag Mishra; Afsar Ali; Shailesh Upreti; Rajeev Gupta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 154 - 161
• a: 8.808 ± 0.005 Å
• b: 14.788 ± 0.005 Å
• c: 25.216 ± 0.005 Å
• α: 90°
• β: 90.567 ± 0.005°
• γ: 90°
• Cell volume: 3284 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No