Information card for entry 7021902

Structure parameters

• Formula: C58 H73 Cl2 Cu2 N11 O13
• Calculated formula: C58 H65 Cl2 Cu2 N11 O13
• Title of publication: Discrimination of cis-trans isomers by dinuclear metal cryptates at physiological pH: selectivity for fumarate vs. maleate.
• Authors of publication: Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14092 - 14099
• a: 18.3034 ± 0.0007 Å
• b: 9.9708 ± 0.0002 Å
• c: 32.6485 ± 0.001 Å
• α: 90°
• β: 99.563 ± 0.003°
• γ: 90°
• Cell volume: 5875.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No