Information card for entry 7203559

Structure parameters

• Chemical name: Bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) diperchlorate methanol solvate (3.CH~3~OH)
• Formula: C17 H20 Cl2 Cu N8 O9
• Calculated formula: C17 H20 Cl2 Cu N8 O9
• 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: 7.2901 ± 0.0003 Å
• b: 28.8637 ± 0.0008 Å
• c: 11.8758 ± 0.0006 Å
• α: 90°
• β: 107.874 ± 0.002°
• γ: 90°
• Cell volume: 2378.28 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No