Information card for entry 4311761

Structure parameters

• Chemical name: (acetonitrile)-(tris(2-methylaminoethyl)amine)-copper(ii) diperchlorate
• Formula: C11 H27 Cl2 Cu N5 O8
• Calculated formula: C11 H27 Cl2 Cu N5 O8
• SMILES: [Cu]123([N](CC[NH]1C)(CC[NH]2C)CC[NH]3C)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands
• Authors of publication: Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6568 - 6578
• a: 19.2487 ± 0.0003 Å
• b: 8.4933 ± 0.0001 Å
• c: 12.3508 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.17 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No