Information card for entry 4082963

Structure parameters

• Formula: C60 H89 Co N4 O0.5 P3 Zr
• Calculated formula: C60 H89 Co N4 O0.5 P3 Zr
• Title of publication: Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex
• Authors of publication: Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2071
• a: 13.6838 ± 0.0008 Å
• b: 15.328 ± 0.0009 Å
• c: 29.7077 ± 0.0019 Å
• α: 80.707 ± 0.004°
• β: 84.03 ± 0.004°
• γ: 70.574 ± 0.003°
• Cell volume: 5790.7 ± 0.6 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 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: 0.0947
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No