Information card for entry 4322471

Structure parameters

• Chemical name: [Cu(II)(TEMEA)Cl]ClO4
• Formula: C12 H27 Cl2 Cu N O4 S3
• Calculated formula: C12 H27 Cl2 Cu N O4.01 S3
• 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: 10.3609 ± 0.001 Å
• b: 10.3609 ± 0.001 Å
• c: 16.384 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1523.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.1106
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No