Information card for entry 7014423

Structure parameters

• Common name: MnCu(dmopba)(H2O)3.4H2O
• Formula: C12 H22 Cu Mn N2 O13
• Calculated formula: C12 H22 Cu Mn N2 O13
• 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: 8.4666 ± 0.0003 Å
• b: 10.5796 ± 0.0005 Å
• c: 10.7969 ± 0.0004 Å
• α: 89.873 ± 0.004°
• β: 95.912 ± 0.004°
• γ: 93.725 ± 0.002°
• Cell volume: 959.93 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0703
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No