Information card for entry 1514623

Structure parameters

• Formula: C72 H104 Mg2 N4 O3
• Calculated formula: C72 H104 Mg2 N4 O3
• SMILES: [Mg]1(O[Mg]2([O]3CCCC3)[N](=C(C)C=C(N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.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: 12.168 ± 0.0013 Å
• b: 12.6241 ± 0.0014 Å
• c: 13.176 ± 0.002 Å
• α: 98.046 ± 0.011°
• β: 111.433 ± 0.012°
• γ: 109.68 ± 0.01°
• Cell volume: 1692.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No