Information card for entry 1514626

Structure parameters

• Formula: C83 H116 Mg2 N6 O
• Calculated formula: C83 H116 Mg2 N6 O
• SMILES: [Mg]12([O]3[Mg]4([N](=C(C)C=C(N4c4c(cccc4C(C)C)C(C)C)C)c4c(cccc4C(C)C)C(C)C)[N](=C3N1C1CCCCC1)C1CCCCC1)N(c1c(cccc1C(C)C)C(C)C)C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C.c1ccccc1.c1ccccc1
• Title of publication: The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
• Authors of publication: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 4383
• a: 12.0374 ± 0.0017 Å
• b: 12.0374 ± 0.0017 Å
• c: 44.799 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5621.7 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No