Information card for entry 7203563

Structure parameters

• Chemical name: Tetrakis(5-amino-3-{pyrid-2-yl}pyrazolido)dicopper(II) hydrate (0.5/0.25) (7.xH~2~O; x = 0.25)
• Formula: C32 H28.5 Cu2 N16 O0.25
• Calculated formula: C32 H28 Cu2 N16 O0.255
• 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: 12.3753 ± 0.0007 Å
• b: 17.13 ± 0.0013 Å
• c: 16.3243 ± 0.0012 Å
• α: 90°
• β: 110.892 ± 0.004°
• γ: 90°
• Cell volume: 3233.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No