Information card for entry 4323852

Structure parameters

• Common name: Cu4(MEPA)4
• Formula: C32 H44 Cu4 N8 S4
• Calculated formula: C32 H44 Cu4 N8 S4
• SMILES: c1c(C[NH]2CC[S]3[Cu]452[S]2CC[NH](Cc6ccccn6)[Cu]652[S]2CC[NH](Cc5ccccn5)[Cu]562[S]2CC[NH](Cc4ccccn4)[Cu]3452)nccc1
• Title of publication: A tetragonal Bisphenoidal Tetracopper(I) Arrangement Supported by a Potentially Tridentate Ligand Containing Thiolate, Secondary Amine, and 2-Pyridine Functions: Hydrogen-Bonded Instead of Cu(I)-Coordinated Pyridine Rings in an S4-Symmetric Compound
• Authors of publication: Andreas F. Stange; Karl Wilhelm Klinkhammer; Wolfgang Kaim
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4087 - 4089
• a: 12.556 ± 0.002 Å
• b: 12.556 ± 0.002 Å
• c: 11.826 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1864.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.0931
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No