Information card for entry 4347139

Structure parameters

• Formula: C18 H36 Cl2 Cu2 N6 Na6 O27
• Calculated formula: C18 H36 Cl2 Cu2 N6 Na6 O27
• Title of publication: Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.
• Authors of publication: Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2390 - 2401
• a: 13.0966 ± 0.0008 Å
• b: 21.1127 ± 0.0013 Å
• c: 14.9035 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4120.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No