Information card for entry 2011991

Structure parameters

• Chemical name: tetrakis(ν-benzoato)bis(acetonitrile)dicopper(II) 1.5 acetonitrile solvat
• Formula: C35 H30.5 Cu2 N3.5 O8
• Calculated formula: C70 H61 Cu4 N7 O16
• Title of publication: Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile
• Authors of publication: Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 546 - 548
• a: 9.875 ± 0.001 Å
• b: 10.707 ± 0.001 Å
• c: 18.046 ± 0.002 Å
• α: 75.86 ± 0.01°
• β: 79.69 ± 0.01°
• γ: 68.28 ± 0.01°
• Cell volume: 1710.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes