Information card for entry 7205739

Structure parameters

• Formula: C24 H32 N4 O11 S Zn
• Calculated formula: C24 H24 N4 O11 S Zn
• Title of publication: Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands
• Authors of publication: Pochodylo, Amy L.; LaDuca, Robert L.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2249
• a: 9.8561 ± 0.0007 Å
• b: 11.9538 ± 0.0009 Å
• c: 22.8463 ± 0.0016 Å
• α: 90°
• β: 95.506 ± 0.001°
• γ: 90°
• Cell volume: 2679.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No