Information card for entry 4328304

Structure parameters

• Common name: Compound 3
• Formula: C26 H29 I N4 Zn
• Calculated formula: C26 H29 I N4 Zn
• SMILES: [Zn]123(I)[n]4ccccc4C([N]1=CC(=CN2C(C)(C)c1[n]3cccc1)c1ccc(C)cc1)(C)C
• Title of publication: Synthesis and Reactivity of an Isolable Cobalt(I) Complex Containing a β-Diketiminate-Based Acyclic Tetradentate Ligand
• Authors of publication: Elodie E. Marlier; Bridget A. Ulrich; Kristopher McNeill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2079 - 2085
• a: 8.9421 ± 0.0013 Å
• b: 11.7434 ± 0.0017 Å
• c: 12.4578 ± 0.0018 Å
• α: 78.483 ± 0.002°
• β: 76.823 ± 0.002°
• γ: 88.283 ± 0.002°
• Cell volume: 1247.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No