Information card for entry 4324942

Structure parameters

• Formula: C22.5 H32.5 Cu2 N11.5 O1.5
• Calculated formula: C22.5 H29 Cu2 N11.5 O1.5
• Title of publication: New Phenoxido-Bridged Quasi-Tetrahedral and Rhomboidal [Cu4] Compounds Bearing μ4-Oxido or μ1,1-Azido Ligands: Synthesis, Chemical Reactivity, and Magnetic Studies
• Authors of publication: Mrinal Sarkar; Rodolphe Clérac; Corine Mathonière; Nigel G. R. Hearns; Valerio Bertolasi; Debashis Ray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3922 - 3933
• a: 17.6314 ± 0.001 Å
• b: 16.565 ± 0.001 Å
• c: 19.2469 ± 0.0011 Å
• α: 90°
• β: 103.887 ± 0.002°
• γ: 90°
• Cell volume: 5457 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No