Information card for entry 7011544

Structure parameters

• Formula: C26 H34 Cu N6 O9
• Calculated formula: C26 H34 Cu N6 O9
• SMILES: [Cu]12345[O]6c7c(C[NH]4CC[NH]3CC[NH]2Cc2c([O]1Cc1[n]5c(C6)ccc1)cccc2)cccc7.O=N(=O)[O-].O=N(=O)[O-].OC
• Title of publication: Macrocyclic ligand design. Structure‒function relationships involving the interaction of pyridinyl-containing, mixed oxygen‒nitrogen donor macrocycles with cobalt(ii), nickel(ii), copper(ii), zinc(ii), cadmium(ii), silver(i) and lead(ii)
• Authors of publication: Fenton, Ronald R.; Gauci, Robert; Junk, Peter C.; Lindoy, Leonard F.; Luckay, Robert C.; Meehan, George V.; Price, Jason R.; Turner, Peter; Wei, Gang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2185
• a: 28.34 ± 0.008 Å
• b: 8.324 ± 0.002 Å
• c: 24.685 ± 0.007 Å
• α: 90°
• β: 100.89 ± 0.005°
• γ: 90°
• Cell volume: 5718 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.749
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No