Information card for entry 7000292

Structure parameters

• Formula: C23 H27 Cl2 Cu N5 O8
• Calculated formula: C23 H27 Cl2 Cu N5 O8
• SMILES: [Cu]1234[n]5ccccc5C5(C[N]1(C5)CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Functionalised azetidines as ligands: species derived by selective alkylation at substituent-nitrogen
• Authors of publication: Lee, Young Hoon; Harrowfield, Jack M.; Kim, Jong Seung; Kim, Yang; Lee, Min Hee; Lim, Woo Taik; Park, Yu Cheol; Thuéry, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 443 - 454
• a: 14.8189 ± 0.0004 Å
• b: 11.5925 ± 0.0005 Å
• c: 16.41 ± 0.0006 Å
• α: 90°
• β: 114.117 ± 0.002°
• γ: 90°
• Cell volume: 2572.98 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No