Information card for entry 7112913

Structure parameters

• Formula: C50 H86 Cl0.85 Co I0.15 N3 P3 Zr
• Calculated formula: C50 H86 Cl0.852 Co I0.148 N3 P3 Zr
• Title of publication: Oxidative addition across Zr/Co multiple bonds in early/late heterobimetallic complexes.
• Authors of publication: Thomas, Christine M.; Napoline, J. Wesley; Rowe, Gerard T.; Foxman, Bruce M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 31
• Pages of publication: 5790 - 5792
• a: 12.2227 ± 0.0005 Å
• b: 14.2597 ± 0.0007 Å
• c: 18.3302 ± 0.0009 Å
• α: 77.154 ± 0.003°
• β: 82.246 ± 0.002°
• γ: 79.036 ± 0.002°
• Cell volume: 3043.6 ± 0.2 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: 0.0943
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections: 0.2032
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No