Information card for entry 7112911

Structure parameters

• Formula: C51.97 H83.91 Co I1.03 N3 P3 Zr
• Calculated formula: C51.9693 H83.9079 Co I1.0307 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: 10.0365 ± 0.0004 Å
• b: 15.6058 ± 0.0007 Å
• c: 18.1449 ± 0.0008 Å
• α: 83.098 ± 0.002°
• β: 74.691 ± 0.002°
• γ: 85.221 ± 0.002°
• Cell volume: 2717.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No