Information card for entry 4500895

Structure parameters

• Common name: catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate
• Chemical name: catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate
• Formula: C35 H45 N9 O14 S2 Zn2
• Calculated formula: C35 H38 N9 O14 S2 Zn2
• Title of publication: Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence
• Authors of publication: Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3536
• a: 20.971 ± 0.0011 Å
• b: 9.2303 ± 0.0005 Å
• c: 11.4429 ± 0.0008 Å
• α: 90°
• β: 110.431 ± 0.007°
• γ: 90°
• Cell volume: 2075.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No