Information card for entry 7113336

Structure parameters

• Formula: C50 H48 Mn N10 O4 S2
• Calculated formula: C50 H48 Mn N10 O4 S2
• Title of publication: Supramolecular isomerism in multivalent metal-templated assemblies with topochemical influence in the regioselective synthesis of tetrakis(2-pyridyl)cyclobutane isomers.
• Authors of publication: Briceño, Alexander; Leal, Dayana; Atencio, Reinaldo; Díaz de Delgado, Graciela
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 3534 - 3536
• a: 13.3756 ± 0.0018 Å
• b: 12.096 ± 0.0014 Å
• c: 16.498 ± 0.002 Å
• α: 90°
• β: 110.314 ± 0.003°
• γ: 90°
• Cell volume: 2503.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No