Information card for entry 4304184

Structure parameters

• Formula: C46 H49 Cl3 Co N13 O7 Zn2
• Calculated formula: C46 H49 Cl3 Co N13 O7 Zn2
• SMILES: [Co]12345[n]6c7cccc6C(=O)N1c1[n]([Zn](Cl)(Cl)[n]6c(N5C(=O)c5[n]3c(ccc5)C(=O)N4c3[n]([Zn](Cl)([n]4c(N2C7=O)cccc4)[O]=C(N(C)C)C)cccc3)cccc6)cccc1.O=C(N(C)C)C.O=C(N(C)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: 17.608 ± 0.004 Å
• b: 18.924 ± 0.005 Å
• c: 16.472 ± 0.004 Å
• α: 90°
• β: 108.498 ± 0.005°
• γ: 90°
• Cell volume: 5205 ± 2 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: 0.0745
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No