Information card for entry 7112914

Structure parameters

• Formula: C45 H79 Co N3 P3 Zr
• Calculated formula: C45 H79 Co 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: 11.4036 ± 0.0003 Å
• b: 12.3007 ± 0.0003 Å
• c: 18.7536 ± 0.0005 Å
• α: 94.342 ± 0.001°
• β: 105.889 ± 0.001°
• γ: 108.481 ± 0.001°
• Cell volume: 2361.24 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9591
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No