Information card for entry 4133653

Structure parameters

• Formula: C34 H46 N2 Na Re
• Calculated formula: C34 H46 N2 Na Re
• SMILES: [cH]12[cH]3[cH]4[Re]5613([N](c1c(C(C)C)cccc1C(C)C)=C(C)C=C(N6c1c(C(C)C)cccc1C(C)C)C)[cH]2[cH]45.[Na+]
• 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: 12.1625 ± 0.0003 Å
• b: 21.0519 ± 0.0007 Å
• c: 12.4534 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3188.62 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No