Information card for entry 7112912

Structure parameters

• Formula: C45 H74 Co I N3 P3 Zr
• Calculated formula: C45 H74 Co I N3 P3 Zr
• SMILES: I[Co]123[Zr]4(N(c5c(cc(cc5C)C)C)[P]1(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)N(c1c(cc(cc1C)C)[CH2]34)[P](C(C)C)C(C)C
• 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: 12.6346 ± 0.001 Å
• b: 29.449 ± 0.002 Å
• c: 13.3675 ± 0.001 Å
• α: 90°
• β: 106.141 ± 0.004°
• γ: 90°
• Cell volume: 4777.7 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0859
• 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: No
• Has Fobs: No