Information card for entry 4514744

Structure parameters

• Chemical name: C45H69CoIN2OP3Zr
• Formula: C45 H69 Co I N2 O P3 Zr
• Calculated formula: C45 H69 Co I N2 O P3 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: 12.2182 ± 0.0007 Å
• b: 13.374 ± 0.0007 Å
• c: 16.9003 ± 0.0009 Å
• α: 70.756 ± 0.002°
• β: 71.3 ± 0.002°
• γ: 74.862 ± 0.002°
• Cell volume: 2432.1 ± 0.2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.0443
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No