Information card for entry 7203560

Structure parameters

• Chemical name: Bis[5-amino-3-(pyrid-2-yl)pyrazole][acetonitrile]copper(II) diperchlorate (4)
• Formula: C18 H19 Cl2 Cu N9 O8
• Calculated formula: C18 H19 Cl2 Cu N9 O8
• 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: 20.5384 ± 0.0007 Å
• b: 8.2388 ± 0.0002 Å
• c: 14.5781 ± 0.0006 Å
• α: 90°
• β: 101.409 ± 0.0013°
• γ: 90°
• Cell volume: 2418.04 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No