Information card for entry 7203562

Structure parameters

• Chemical name: Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)
• Formula: C16 H16.58 N10 O6.29 Zn
• Calculated formula: C16 H16 N10 O6.29 Zn
• Title of publication: Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole
• Authors of publication: Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 719
• a: 14.168 ± 0.0001 Å
• b: 16.4064 ± 0.0002 Å
• c: 35.0658 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8150.9 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No