Information card for entry 1558156

Structure parameters

• Formula: C194 H240 Cl4 Mn4 N17 O27 Zn3
• Calculated formula: C194 H202 Cl4 Mn4 N17 O24 Zn3
• Title of publication: Dual switchable molecular tweezers incorporating anisotropic Mn^III-salphen complexes.
• Authors of publication: Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Cador, Olivier; Pointillart, Fabrice; Wernsdorfer, Wolfgang; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 8872 - 8882
• a: 15.1358 ± 0.0012 Å
• b: 16.5212 ± 0.001 Å
• c: 22.9401 ± 0.0016 Å
• α: 89.629 ± 0.005°
• β: 72.981 ± 0.005°
• γ: 73.972 ± 0.005°
• Cell volume: 5254.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1166
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.2657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No