Information card for entry 4303599

Structure parameters

• Common name: [LZn2Ba(OAc)2](H2O)(Et2O)0.5
• Formula: C44 H51 Ba N4 O18.5 Zn2
• Calculated formula: C44 H51 Ba N4 O18.5 Zn2
• Title of publication: Multiple Folding Structures Mediated by Metal Coordination of Acyclic Multidentate Ligand
• Authors of publication: Shigehisa Akine; Yoko Morita; Fumihiko Utsuno; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10670 - 10678
• a: 12.166 ± 0.005 Å
• b: 13.771 ± 0.006 Å
• c: 14.903 ± 0.008 Å
• α: 74.24 ± 0.02°
• β: 89.487 ± 0.018°
• γ: 77.833 ± 0.016°
• Cell volume: 2345.9 ± 1.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No