Information card for entry 4514740

Structure parameters

• Formula: C32 H58 Co I N4 P2 Zr
• Calculated formula: C32 H58 Co I N4 P2 Zr
• Title of publication: Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex
• Authors of publication: Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 3153
• a: 15.4307 ± 0.0005 Å
• b: 22.1735 ± 0.0008 Å
• c: 10.8845 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3724.2 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No