Information card for entry 4314977

Structure parameters

• Common name: [LZn2Ba(OAc)2](CHCl3)1.5(Et2O)0.5
• Formula: C37.5 H38.5 Ba Cl4.5 N4 O14.5 Zn2
• Calculated formula: C37.5 H38.5 Ba Cl4.5 N4 O14.5 Zn2
• 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: 12.58 ± 0.006 Å
• b: 13.505 ± 0.005 Å
• c: 15.324 ± 0.007 Å
• α: 79.997 ± 0.014°
• β: 70.491 ± 0.017°
• γ: 65.95 ± 0.016°
• Cell volume: 2238.8 ± 1.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No