Information card for entry 7700193

Structure parameters

• Formula: C42 H28 Cu3 N12 O6
• Calculated formula: C42 H28 Cu3 N12 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: 18.7715 ± 0.0005 Å
• b: 13.3743 ± 0.0003 Å
• c: 15.266 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3832.62 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No