Information card for entry 7117607

Structure parameters

• Formula: C94 H101 Cl11 Cu2 N7 O4 Zn
• Calculated formula: C94 H101 Cl11 Cu2 N7 O4 Zn
• Title of publication: Mechanical switching of magnetic interaction by tweezers-type complex.
• Authors of publication: Doistau, Benjamin; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 12916 - 12919
• a: 69.071 ± 0.003 Å
• b: 14.7327 ± 0.0006 Å
• c: 19.7966 ± 0.0008 Å
• α: 90°
• β: 98.123 ± 0.002°
• γ: 90°
• Cell volume: 19943 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No