Information card for entry 4321419

Structure parameters

• Formula: C48 H74 Cu5 N4 O22
• Calculated formula: C48 H74 Cu5 N4 O22
• SMILES: c1[n]2c(ccc1)[C@@]1([O]3[Cu]45[O]6[C@]1(c1cccc[n]1[Cu]6(OC(=O)C)[OH][Cu]1([n]6ccccc6[C@]([O]51)(OCC)[C@]1(c5cccc[n]5[Cu]([OH][Cu]23(OC(=O)C)[OH]CC)([O]41)OC(=O)C)OCC)(OC(=O)C)[OH]CC)OCC)OCC.C(C)O.C(C)O
• 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: 12.522 ± 0.001 Å
• b: 11.117 ± 0.001 Å
• c: 12.643 ± 0.001 Å
• α: 65.433 ± 0.004°
• β: 81.488 ± 0.004°
• γ: 74.338 ± 0.003°
• Cell volume: 1540 ± 0.2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.1011
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No