Information card for entry 7112910

Structure parameters

• Formula: C45 H75 Co I2 N3 P3 Zr
• Calculated formula: C45 H75 Co I2 N3 P3 Zr
• SMILES: I[Co]123[I][Zr]1(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)N(c1c(cc(cc1C)C)C)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: 27.2429 ± 0.0012 Å
• b: 31.7135 ± 0.0014 Å
• c: 16.8195 ± 0.0007 Å
• α: 90°
• β: 127.715 ± 0.002°
• γ: 90°
• Cell volume: 11495.3 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for all reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No