Information card for entry 4133652

Structure parameters

• Common name: Re(Cp)(BDI)
• Formula: C34 H46 N2 Re
• Calculated formula: C34 H46 N2 Re
• SMILES: [cH]12[cH]3[cH]4[cH]5[CH]1[Re]12345[N](=C(C=C(C)N1c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.
• Authors of publication: Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 2
• Pages of publication: 800 - 804
• a: 12.5845 ± 0.0006 Å
• b: 18.1223 ± 0.0007 Å
• c: 13.8772 ± 0.0006 Å
• α: 90°
• β: 106.396 ± 0.002°
• γ: 90°
• Cell volume: 3036.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No