Information card for entry 7700194

Structure parameters

• Formula: C38 H28 Br2 Cu3 N6 O6
• Calculated formula: C38 H28 Br2 Cu3 N6 O6
• Title of publication: On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.
• Authors of publication: Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10260 - 10274
• a: 10.5542 ± 0.0007 Å
• b: 12.644 ± 0.0012 Å
• c: 18.2708 ± 0.001 Å
• α: 80.961 ± 0.006°
• β: 75.904 ± 0.005°
• γ: 70.354 ± 0.007°
• Cell volume: 2219.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No