Information card for entry 7051291

Structure parameters

• Formula: C58 H67 Cl Li4 N4 O10 Zn
• Calculated formula: C58 H67 Cl Li4 N4 O10 Zn
• SMILES: [Zn](Cl)([O]3c1cccc2CC([O]([Li]34[N]#CC)c12)(C)C)([O]3c1cccc2CC([O]([Li]356)c12)(C)C)[O]3c1cccc2CC([O]([Li]37[O]5([Li]3([N]#CC)[O]46c4cccc5CC([O]3c45)(C)C)c3cccc4CC([O]7c34)(C)C)c12)(C)C.N#CC.N#CC
• Title of publication: Syntheses and crystal structure of [Li4Zn(μ3,η2-ddbfo)2(μ,η2-ddbfo)3Cl(CH3CN)2]·2CH3CN, [Na4(μ,η2-ddbfo)4(CH3CN)4] and [Zn2(μ,η1-ddbfo)2Cl2(py)2] aggregates
• Authors of publication: Sobota, Piotr; Klimowicz, Maria; Utko, Józef; Jerzykiewicz, Lucjan B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 523
• a: 11.818 ± 0.002 Å
• b: 23.435 ± 0.005 Å
• c: 21.975 ± 0.004 Å
• α: 90°
• β: 96.92 ± 0.03°
• γ: 90°
• Cell volume: 6042 ± 2 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No