Information card for entry 7042122

Structure parameters

• Formula: C40 H40 N4 O12 S12
• Calculated formula: C40 H40 N4 O12 S12
• Title of publication: A heterometallic ferrimagnet based on a new TTF-bis(oxamato) ligand.
• Authors of publication: Cui, Long; Ge, Jing-Yuan; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3980 - 3988
• a: 18.933 ± 0.007 Å
• b: 4.897 ± 0.002 Å
• c: 27.689 ± 0.011 Å
• α: 90°
• β: 103.623 ± 0.006°
• γ: 90°
• Cell volume: 2495 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.1438
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No