Information card for entry 1514622

Structure parameters

• Formula: C58 H84 Mg2 N4 O2
• Calculated formula: C58 H84 Mg2 N4 O2
• SMILES: [Mg]12([OH][Mg]3([OH]1)[N](=C(C)C=C(N3c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[N](=C(C)C=C(N2c1c(C(C)C)cccc1C(C)C)C)c1c(cccc1C(C)C)C(C)C
• 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: 22.886 ± 0.005 Å
• b: 14.823 ± 0.003 Å
• c: 16.196 ± 0.003 Å
• α: 90°
• β: 90.65 ± 0.03°
• γ: 90°
• Cell volume: 5494 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No