Information card for entry 7009487

Structure parameters

• Formula: C193 H308 Co8 N107 O32 S24
• Calculated formula: C193 H306 Co8 N107 O29 S24
• SMILES: [Co]123(Sc4[n]1c(=O)[nH]c(n4)N(CC)CC)(Sc1[n]2c(=O)[nH]c(n1)N(CC)CC)Sc1[n]3c(=O)[nH]c(n1)N(CC)CC.N#CC.N#CC.N#CC.N#CC.OC.O
• Title of publication: Inter-ligand reactions: in situ formation of new polydentate ligands
• Authors of publication: Coxall, Robert A.; Harris, Steven G.; Henderson, David K.; Parsons, Simon; Tasker, Peter A.; Winpenny, Richard E. P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2349
• a: 53.242 ± 0.011 Å
• b: 33.671 ± 0.007 Å
• c: 33.537 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 60122 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2941
• Residual factor for significantly intense reflections: 0.1373
• Weighted residual factors for significantly intense reflections: 0.3361
• Weighted residual factors for all reflections included in the refinement: 0.4236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No