Information card for entry 4346850

Structure parameters

• Formula: C62 H84 Cl2 Mn2 N12 O27 Pr2
• Calculated formula: C62 H36 Cl2 Mn2 N12 O27 Pr2
• Title of publication: Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.
• Authors of publication: Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2701 - 2708
• a: 32.726 ± 0.007 Å
• b: 10.721 ± 0.002 Å
• c: 25.497 ± 0.005 Å
• α: 90°
• β: 114.88 ± 0.03°
• γ: 90°
• Cell volume: 8116 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No