Information card for entry 4314974

Structure parameters

• Common name: [LZn2Ca(OAc)2](CH2Cl2)1.5
• Formula: C35.5 H35 Ca Cl3 N4 O14 Zn2
• Calculated formula: C35.5 H35 Ca Cl3 N4 O14 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: 11.826 ± 0.006 Å
• b: 12.942 ± 0.005 Å
• c: 14.995 ± 0.007 Å
• α: 63.85 ± 0.013°
• β: 71.662 ± 0.018°
• γ: 82.025 ± 0.017°
• Cell volume: 1955.5 ± 1.6 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: 0.0761
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No