Information card for entry 1557550

Structure parameters

• Formula: C57 H87 I Mg N2 O
• Calculated formula: C57 H87 I Mg N2 O
• SMILES: I[Mg]1([O](CC)CC)N(c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)C(=CC(=[N]1c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C)C
• Title of publication: Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation
• Authors of publication: Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 3516 - 3522
• a: 10.437 ± 0.0002 Å
• b: 14.8235 ± 0.0004 Å
• c: 18.7188 ± 0.0005 Å
• α: 84.547 ± 0.002°
• β: 75.886 ± 0.002°
• γ: 71.426 ± 0.002°
• Cell volume: 2661.85 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No