Information card for entry 4302563

Structure parameters

• Formula: C59 H67 Cl Co I N3 P3 Zr
• Calculated formula: C59 H67 Cl Co I N3 P3 Zr
• SMILES: I[Co]123[Zr](Cl)(N(C(C)C)[P]1(c1ccccc1)c1ccccc1)(N(C(C)C)[P]2(c1ccccc1)c1ccccc1)N(C(C)C)[P]3(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Multielectron Redox Activity Facilitated by Metal-Metal Interactions in Early/Late Heterobimetallics: Co/Zr Complexes Supported by Phosphinoamide Ligands
• Authors of publication: Bennett P. Greenwood; Scott I. Forman; Gerard T. Rowe; Chun-Hsing Chen; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6251 - 6260
• a: 10.8403 ± 0.0014 Å
• b: 14.4482 ± 0.0019 Å
• c: 18.62 ± 0.002 Å
• α: 74.452 ± 0.005°
• β: 82.637 ± 0.005°
• γ: 86.324 ± 0.006°
• Cell volume: 2785.1 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No