Information card for entry 7205267

Structure parameters

• Formula: C17.5 H18 N4 O4.5 Zn
• Calculated formula: C17.5 H16.5 N4 O4.5 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: 13.965 ± 0.0005 Å
• b: 10.813 ± 0.0004 Å
• c: 24.206 ± 0.0008 Å
• α: 90°
• β: 98.454 ± 0.002°
• γ: 90°
• Cell volume: 3615.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No