Information card for entry 2209597

Structure parameters

• Chemical name: cyclo-Tris(μ~2~-3-phenyl-1H-pyrazole)tricopper(I)
• Formula: C27 H21 Cu3 N6
• Calculated formula: C27 H21 Cu3 N6
• SMILES: [Cu]2[n](c(cc3)c1ccccc1)[n]3[Cu][n](c(cc1)c3ccccc3)[n]1[Cu][n]4[n]2ccc4c2ccccc2
• Title of publication: <i>cyclo</i>-Tris(μ~2~-3-phenyl-1<i>H</i>-pyrazole)tricopper(I)
• Authors of publication: Morawitz, Thorsten; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1474 - m1476
• a: 26.6249 ± 0.0019 Å
• b: 26.6249 ± 0.0019 Å
• c: 7.1739 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5085.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes