Information card for entry 7011542

Structure parameters

• Formula: C28 H42 Co N6 O11
• Calculated formula: C28 H42 Co N6 O11
• SMILES: [Co]12([OH]C)([OH]C)(ON(=O)=O)[NH]3CC[NH]1CC[NH]2Cc1ccccc1OCc1nc(ccc1)COc1ccccc1C3.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: 11.85 ± 0.003 Å
• b: 13.422 ± 0.003 Å
• c: 11.066 ± 0.003 Å
• α: 112.555 ± 0.004°
• β: 86.932 ± 0.004°
• γ: 101.417 ± 0.004°
• Cell volume: 1592.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No