Information card for entry 4081296

Structure parameters

• Formula: C22 H22 O3
• Calculated formula: C22 H22 O3
• Title of publication: Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance
• Authors of publication: Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5071
• a: 8.0211 ± 0.0017 Å
• b: 8.811 ± 0.002 Å
• c: 23.772 ± 0.005 Å
• α: 90°
• β: 97.876 ± 0.011°
• γ: 90°
• Cell volume: 1664.2 ± 0.6 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2714
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No