Information card for entry 7221817

Structure parameters

• Chemical name: diaquadi(N-4-pyridylnicotinamide)zinc(II)nitrate
• Formula: C22 H22 N8 O10 Zn
• Calculated formula: C22 H22 N8 O10 Zn
• Title of publication: Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts
• Authors of publication: Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 8130
• a: 7.4378 ± 0.0004 Å
• b: 8.9941 ± 0.0004 Å
• c: 9.8914 ± 0.0005 Å
• α: 75.2719 ± 0.0017°
• β: 72.7974 ± 0.0017°
• γ: 82.7345 ± 0.0017°
• Cell volume: 610.39 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No