Information card for entry 4341557

Structure parameters

• Formula: C45 H85 Co N5 P3 Zr
• Calculated formula: C45 H85 Co N5 P3 Zr
• SMILES: [Zr]123([Co]([P](N1C(C)C)(C(C)C)C(C)C)([P](N2C(C)C)(C(C)C)C(C)C)(N3c1c(C)cc(C)cc1C)=Nc1c(C)cc(C)cc1C)N(C(C)C)P(C(C)C)C(C)C
• Title of publication: Formation of Heterobimetallic Zirconium/Cobalt Diimido Complexes via a Four-Electron Transformation.
• Authors of publication: Wu, Bing; Hernández Sánchez, Raúl; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10021 - 10023
• a: 18.9688 ± 0.0004 Å
• b: 14.0909 ± 0.0003 Å
• c: 20.7472 ± 0.0005 Å
• α: 90°
• β: 100.228 ± 0.001°
• γ: 90°
• Cell volume: 5457.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No