Information card for entry 7047256

Structure parameters

• Formula: C96 H106 Mn2 O14 P4
• Calculated formula: C96 H106 Mn2 O14 P4
• 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: 26.0462 ± 0.0005 Å
• b: 14.1147 ± 0.0002 Å
• c: 25.448 ± 0.0005 Å
• α: 90°
• β: 114.095 ± 0.002°
• γ: 90°
• Cell volume: 8540.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No