Information card for entry 7009174

Structure parameters

• Formula: C35 H41 Cu N5 O10.8675
• Calculated formula: C35 H41 Cu N5 O10.87
• Title of publication: Macrocyclic ligand design. Interaction of selected transition and post-transition metal ions with a new N2O2-donor macrocycle incorporating a pyridylmethyl pendant arm
• Authors of publication: Atkinson, Ian M.; Chartres, Jy D.; Everett, Grover W.; Ji, Xue-Kui; Lindoy, Leonard F.; Matthews, Owen A.; Meehan, George V.; Skelton, Brian W.; Wei, Gang; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1191
• a: 20.641 ± 0.009 Å
• b: 14.447 ± 0.007 Å
• c: 24.912 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7429 ± 6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.142
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 1.705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No