Information card for entry 7700191

Structure parameters

• Formula: C43 H35 Cu3 N9 O8.2 S2
• Calculated formula: C43 H35 Cu3 N9 O8.195 S2
• 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: 9.4163 ± 0.0004 Å
• b: 21.8732 ± 0.0012 Å
• c: 10.9475 ± 0.0005 Å
• α: 90°
• β: 91.411 ± 0.004°
• γ: 90°
• Cell volume: 2254.11 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No