Information card for entry 4322469

Structure parameters

• Chemical name: [Cu(I)(TMMEA)]ClO4
• Formula: C9 H21 Cl Cu N O4 S3
• Calculated formula: C9 H21 Cl Cu N O4 S3
• SMILES: [Cu]123[S](CC[N]3(CC[S]1C)CC[S]2C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Influence of Coordination Geometry upon Copper(II/I) Redox Potentials. Physical Parameters for Twelve Copper Tripodal Ligand Complexes
• Authors of publication: Edna A. Ambundo; Marie-Veronique Deydier; Andrew J. Grall; Natalia Aguera-Vega; Luke T. Dressel; Thomas H. Cooper; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4233 - 4242
• a: 6.562 ± 0.002 Å
• b: 14.401 ± 0.005 Å
• c: 17.439 ± 0.004 Å
• α: 90°
• β: 90.45 ± 0.02°
• γ: 90°
• Cell volume: 1647.9 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.1153
• Goodness-of-fit parameter for all reflections: 0.876
• Goodness-of-fit parameter for significantly intense reflections: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No