Information card for entry 4321421

Structure parameters

• Formula: C72 H90 Cu5 N4 O22
• Calculated formula: C72 H88 Cu5 N4 O22
• SMILES: c1cccc2[C@@]3([O]4[Cu]56[O]7[C@]3(c3cccc[n]3[Cu]7([OH][Cu]3([n]7ccccc7[C@]([O]63)(OCC)[C@]3(c6cccc[n]6[Cu]([OH][Cu]4([n]12)(OC(=O)c1ccccc1)OCC)([O]53)OC(=O)c1ccccc1)OCC)(OC(=O)c1ccccc1)OCC)OC(=O)c1ccccc1)OCC)OCC.CCOCC.CCOCC
• Title of publication: Alcoholysis of 2,2'-Pyridil, (2-C5H4N)C(O)C(O)(2-C5H4N), in the Presence of Copper(II): A Family of Planar Pentanuclear Copper(II) Complexes Stabilized by [(2-C5H4N)C(O)(OR)C(O)(OR)(2-C5H4N)]2- and Carboxylate Ligands
• Authors of publication: Giannis S. Papaefstathiou; Catherine P. Raptopoulou; Alexandros Tsohos; Aris Terzis; Evangelos G. Bakalbassis; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4658 - 4662
• a: 12.488 ± 0.005 Å
• b: 12.2 ± 0.005 Å
• c: 15.373 ± 0.006 Å
• α: 111.29 ± 0.01°
• β: 92.93 ± 0.01°
• γ: 114.33 ± 0.01°
• Cell volume: 1932.1 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.0966
• Goodness-of-fit parameter for all reflections: 1.159
• Goodness-of-fit parameter for significantly intense reflections: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No