Information card for entry 7205269

Structure parameters

• Formula: C13 H10 Cl2 N4 Zn
• Calculated formula: C13 H10 Cl2 N4 Zn
• Title of publication: Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands
• Authors of publication: Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1676
• a: 5.275 ± 0.0001 Å
• b: 21.507 ± 0.0003 Å
• c: 12.253 ± 0.0002 Å
• α: 90°
• β: 101.063 ± 0.001°
• γ: 90°
• Cell volume: 1364.26 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No