Information card for entry 7042120

Structure parameters

• Formula: C48 H80 Cu N4 O6 S6
• Calculated formula: C48 H77 Cu N4 O6 S6
• 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: 10.6005 ± 0.0012 Å
• b: 17.985 ± 0.002 Å
• c: 20.191 ± 0.002 Å
• α: 96.412 ± 0.002°
• β: 102.067 ± 0.002°
• γ: 99.808 ± 0.002°
• Cell volume: 3665.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1311
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No