Information card for entry 2017128

Structure parameters

• Chemical name: amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4- ene)tetracopper(II)
• Formula: C15 H30 Cl6 Cu4 N10 O
• Calculated formula: C15 H30 Cl6 Cu4 N10 O
• Title of publication: The neutral cluster amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)
• Authors of publication: Chiarella, Gina M.; Melgarejo, Doris Y.; Fackler Jr, John P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m228 - m230
• a: 17.548 ± 0.009 Å
• b: 17.548 ± 0.009 Å
• c: 7.898 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2106.2 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes