Information card for entry 1557148

Structure parameters

• Common name: Copper(II) Adamanzane Complex
• Formula: C11 H24 Cu I2 N4
• Calculated formula: C11 Cu I2 N4
• SMILES: I[Cu]123[NH]4CC[N]51CC[NH]2CC[N]3(CC4)CCC5.[I-].[I-]
• Title of publication: Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia
• Authors of publication: Springborg, Johan; Sotofte, Inger
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 357 - 366
• a: 13.678 ± 0.004 Å
• b: 13.359 ± 0.004 Å
• c: 9.219 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1684.5 ± 0.9 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.3261
• Goodness-of-fit parameter for all reflections included in the refinement: 2.2
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No