Information card for entry 7205231

Structure parameters

• Formula: C39 H34 N4 O13 S Zn2
• Calculated formula: C39 H34 N4 O13 S Zn2
• Title of publication: Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals
• Authors of publication: Karmakar, Anirban; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 350
• a: 16.437 ± 0.0002 Å
• b: 14.699 ± 0.0002 Å
• c: 17.5061 ± 0.0002 Å
• α: 90°
• β: 109.379 ± 0.001°
• γ: 90°
• Cell volume: 3989.97 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No