Information card for entry 4131558

Structure parameters

• Formula: C41 H22 Al2 Cl4 Cr2 F48 O11
• Calculated formula: C41 H22 Al2 Cl4 Cr2 F48 O11
• Title of publication: Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.
• Authors of publication: Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 34
• Pages of publication: 12069 - 12075
• a: 14.4259 ± 0.0017 Å
• b: 15.0142 ± 0.0019 Å
• c: 16.918 ± 0.002 Å
• α: 94.524 ± 0.003°
• β: 101.87 ± 0.003°
• γ: 113.421 ± 0.003°
• Cell volume: 3237.4 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No