Information card for entry 4323571

Structure parameters

• Formula: C50 H54 Cu2 N2 O9
• Calculated formula: C50 H54 Cu2 N2 O9
• SMILES: [Cu]12([O]=C3O[Cu]4([O]=C(O1)C1(C)C[C@]5(C(=O)N(c6cc(N7C(=O)[C@@]8(C)C[C@](C7=O)(C)CC3(C)C8)c(cc6C)C)C(=O)[C@](C)(C5)C1)C)[CH]1[C@@H]3C[C@H]([CH]4=1)CC3)[CH]1[C@H]3CC[C@H](C3)[CH]2=1.O(CC)CC
• Title of publication: Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes
• Authors of publication: Daniel D. LeCloux
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4035 - 4046
• a: 12.475 ± 0.002 Å
• b: 13.0039 ± 0.0009 Å
• c: 15.024 ± 0.003 Å
• α: 93.717 ± 0.013°
• β: 94.572 ± 0.009°
• γ: 98.625 ± 0.01°
• Cell volume: 2394.7 ± 0.6 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 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: 0.057
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1344
• Weighted residual factors for significantly intense reflections: 0.1278
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No