Information card for entry 7029004

Structure parameters

• Formula: C56 H77 Mg N4 Na O3 Si
• Calculated formula: C56 H77 Mg N4 Na O3 Si
• SMILES: n1(cccc1)[Mg]([O]1CCCC1)(N([Si](c1ccccc1)(c1ccccc1)Nc1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)n1cccc1.[O]1(CCCC1)[Na][O]1CCCC1
• Title of publication: Probing the metallating ability of a polybasic sodium alkylmagnesiate supported by a bulky bis(amido) ligand: deprotomagnesiation reactions of nitrogen-based aromatic substrates.
• Authors of publication: Armstrong, David R.; Clegg, William; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Robertson, Stuart D.; Russo, Luca; Hevia, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4361 - 4369
• a: 10.4287 ± 0.0006 Å
• b: 38.3533 ± 0.0018 Å
• c: 14.3444 ± 0.0007 Å
• α: 90°
• β: 104.314 ± 0.005°
• γ: 90°
• Cell volume: 5559.3 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No