Information card for entry 4509504

Structure parameters

• Chemical name: 4,4-bipyrazolium hexachlorodicuprate(II)
• Formula: C6 H8 Cl6 Cu2 N4
• Calculated formula: C6 H8 Cl6 Cu2 N4
• SMILES: c1c(c[nH][nH+]1)c1c[nH][nH+]c1.Cl[Cu]1(Cl)[Cl][Cu](Cl)([Cl]1)Cl
• Title of publication: Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts
• Authors of publication: Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2895
• a: 3.878 ± 0.001 Å
• b: 9.271 ± 0.002 Å
• c: 10.716 ± 0.002 Å
• α: 112.27 ± 0.01°
• β: 95.9 ± 0.01°
• γ: 101.7 ± 0.02°
• Cell volume: 342.2 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No