Information card for entry 4314973

Structure parameters

• Common name: [LZn2Ca(OAc)2](CHCl3)0.5(MeOH)0.5
• Formula: C37 H38.5 Ca Cl1.5 N4 O14.5 Zn2
• Calculated formula: C37 H38.5 Ca Cl1.5 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: 13.791 ± 0.003 Å
• b: 15.788 ± 0.004 Å
• c: 20.439 ± 0.004 Å
• α: 84.018 ± 0.01°
• β: 81.632 ± 0.01°
• γ: 73.877 ± 0.011°
• Cell volume: 4220.1 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No