Information card for entry 4314968

Structure parameters

• Common name: [LZn3(OAc)2(MeOH)](CHCl3)0.7(H2O)0.5
• Formula: C35.7 H37.7 Cl2.1 N4 O15.5 Zn3
• Calculated formula: C35.7 H36.7 Cl2.1 N4 O15.5 Zn3
• Title of publication: Modulation of Multimetal Complexation Behavior of Tetraoxime Ligand by Covalent Transformation of Olefinic Functionalities
• Authors of publication: Shigehisa Akine; Satoko Kagiyama; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2141 - 2152
• a: 10.564 ± 0.003 Å
• b: 23.317 ± 0.005 Å
• c: 16.731 ± 0.005 Å
• α: 90°
• β: 99.821 ± 0.011°
• γ: 90°
• Cell volume: 4060.8 ± 1.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0541
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No