Information card for entry 4314976

Structure parameters

• Common name: LZn2Ba(OAc)2(CHCl3)0.7(MeOH)0.6
• Formula: C37.3 H39.1 Ba Cl2.1 N4 O14.6 Zn2
• Calculated formula: C37.3 H39.1 Ba Cl2.1 N4 O14.6 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: 14.446 ± 0.004 Å
• b: 15.882 ± 0.003 Å
• c: 20.178 ± 0.006 Å
• α: 88.392 ± 0.009°
• β: 79.764 ± 0.011°
• γ: 69.993 ± 0.008°
• Cell volume: 4278.2 ± 1.9 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: 0.0462
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No