Information card for entry 7717701

Structure parameters

• Formula: C16 H24 Cl2 Cu N8 O8
• Calculated formula: C16 H24 Cl2 Cu N8 O8
• Title of publication: Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.
• Authors of publication: Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1334 - 1342
• a: 8.8912 ± 0.0005 Å
• b: 8.8939 ± 0.0006 Å
• c: 9.1265 ± 0.0006 Å
• α: 90.491 ± 0.004°
• β: 117.756 ± 0.004°
• γ: 110.978 ± 0.004°
• Cell volume: 582.75 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No