Information card for entry 4509731

Structure parameters

• Common name: bis[zinc di(acetate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)
• Chemical name: bis[zinc di(acetate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)
• Formula: C30 H44 N6 O14 Zn2
• Calculated formula: C30 H44 N6 O14 Zn2
• SMILES: C12C(CCCC1)=[N]([Zn]([N]=2O)([n]1ccc(cc1)c1cc[n](cc1)[Zn]1([N](=C2C(CCCC2)=[N]1O)O)(OC(=O)C)(OC(=O)C)[OH2])(OC(=O)C)([OH2])OC(=O)C)O
• Title of publication: Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands
• Authors of publication: Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5233
• a: 20.7394 ± 0.0014 Å
• b: 11.1708 ± 0.0008 Å
• c: 8.4956 ± 0.0006 Å
• α: 90°
• β: 110.834 ± 0.004°
• γ: 90°
• Cell volume: 1839.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No