Information card for entry 1518589

Structure parameters

• Formula: C68 H104 Co2 I2 N4 O2 P4 Ti2
• Calculated formula: C68 H104 Co2 I2 N4 O2 P4 Ti2
• Title of publication: A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes
• Authors of publication: Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 2044
• a: 12.5912 ± 0.0005 Å
• b: 13.4571 ± 0.0005 Å
• c: 13.5956 ± 0.0005 Å
• α: 110.682 ± 0.0017°
• β: 94.623 ± 0.002°
• γ: 117.15 ± 0.0016°
• Cell volume: 1835.07 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No