Information card for entry 4314975

Structure parameters

• Common name: [LZn2Ca(OAc)2]_2CHCl3
• Formula: C36 H36 Ca Cl6 N4 O14 Zn2
• Calculated formula: C36 H36 Ca Cl6 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: 13.129 ± 0.005 Å
• b: 13.629 ± 0.005 Å
• c: 14.925 ± 0.008 Å
• α: 76.252 ± 0.015°
• β: 66.462 ± 0.015°
• γ: 62.042 ± 0.012°
• Cell volume: 2158.5 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No