Information card for entry 7014424

Structure parameters

• Formula: C20 H32 Cu Mn N2 O10 S4
• Calculated formula: C20 H32 Cu Mn N2 O10 S4
• Title of publication: Design of 1D and 2D molecule-based magnets with the ligand 4,5-dimethyl-1,2-phenylenebis(oxamato).
• Authors of publication: Pereira, Cynthia L. M.; Pedroso, Emerson F.; Doriguetto, Antônio C; Ellena, Javier A.; Boubekeur, Kamal; Filali, Yasmine; Journaux, Yves; Novak, Miguel A.; Stumpf, Humberto O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 746 - 754
• a: 8.558 ± 0.0011 Å
• b: 10.173 ± 0.0015 Å
• c: 18.201 ± 0.006 Å
• α: 93.146 ± 0.017°
• β: 98.93 ± 0.02°
• γ: 110.158 ± 0.014°
• Cell volume: 1459.4 ± 0.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No