Information card for entry 7126099

Structure parameters

• Formula: C35 H47 N2 O Re
• Calculated formula: C35 H47 N2 O Re
• SMILES: C(#[O])[Re]12345([cH]6[cH]1[cH]2[cH]3[cH]46)[N](c1c(C(C)C)cccc1C(C)C)=C(C)CC(C)=[N]5c1c(C(C)C)cccc1C(C)C
• Title of publication: Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.
• Authors of publication: Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 26
• Pages of publication: 3761 - 3764
• a: 10.1864 ± 0.0003 Å
• b: 25.6639 ± 0.0009 Å
• c: 12.2342 ± 0.0004 Å
• α: 90°
• β: 106.406 ± 0.001°
• γ: 90°
• Cell volume: 3068.08 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0234
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No