Information card for entry 7047254

Structure parameters

• Formula: C198 H222 F6 Mn4 O35 P8 S2
• Calculated formula: C198 H222 F6 Mn4 O35 P8 S2
• Title of publication: Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.
• Authors of publication: Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12652 - 12655
• a: 28.1073 ± 0.0002 Å
• b: 15.5211 ± 0.0001 Å
• c: 43.2805 ± 0.0003 Å
• α: 90°
• β: 95.97 ± 0.001°
• γ: 90°
• Cell volume: 18779 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No