Information card for entry 4341555

Structure parameters

• Formula: C31 H72 Co N6 P3 Zr
• Calculated formula: C31 H72 Co N6 P3 Zr
• SMILES: [Zr]123([Co]4([P](N1C(C)C)(C(C)C)C(C)C)([P](N2C(C)C)(C(C)C)C(C)C)[N]3=NN4C(C)(C)C)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: 11.7498 ± 0.0004 Å
• b: 16.4448 ± 0.0006 Å
• c: 20.8508 ± 0.0008 Å
• α: 90°
• β: 95.322 ± 0.002°
• γ: 90°
• Cell volume: 4011.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0664
• 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