Information card for entry 1558155

Structure parameters

• Formula: C98 H129 Cl4 Mn2 N7 O12 Zn
• Calculated formula: C98 H129 Cl4 Mn2 N7 O12 Zn
• 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: 14.1647 ± 0.0002 Å
• b: 15.302 ± 0.0002 Å
• c: 25.9901 ± 0.0004 Å
• α: 88.142 ± 0.001°
• β: 84.223 ± 0.001°
• γ: 66.438 ± 0.001°
• Cell volume: 5137.23 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.66825 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No