Information card for entry 7029003

Structure parameters

• Formula: C128 H182 Mg2 N8 Na2 O10 Si2
• Calculated formula: C128 H182 Mg2 N8 Na2 O10 Si2
• SMILES: [Mg]12(N(c3c(cccc3C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)[n]1c(n(C)c3ccccc13)[Mg]1(N(c3c(cccc3C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)[n]1c2n(C)c2ccccc12.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[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: 19.3321 ± 0.001 Å
• b: 17.1557 ± 0.0008 Å
• c: 19.958 ± 0.0011 Å
• α: 90°
• β: 113.694 ± 0.006°
• γ: 90°
• Cell volume: 6061.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1726
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.753
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No