Information card for entry 7205736

Structure parameters

• Formula: C32 H29 Cl N6 O13 Zn2
• Calculated formula: C32 H29 Cl N6 O13 Zn2
• 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: 12.1267 ± 0.0002 Å
• b: 28.8702 ± 0.0004 Å
• c: 9.6769 ± 0.0001 Å
• α: 90°
• β: 93.585 ± 0.001°
• γ: 90°
• Cell volume: 3381.26 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No