Information card for entry 4133651

Structure parameters

• Formula: C34 H47 N2 Re
• Calculated formula: C34 H47 N2 Re
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[ReH]12345N(c2c(C(C)C)cccc2C(C)C)C(=CC(C)=[N]1c1c(C(C)C)cccc1C(C)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: 9.6137 ± 0.0004 Å
• b: 12.478 ± 0.0006 Å
• c: 13.2623 ± 0.0006 Å
• α: 73.366 ± 0.002°
• β: 85.413 ± 0.002°
• γ: 84.457 ± 0.002°
• Cell volume: 1514.95 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No