Information card for entry 7029005

Structure parameters

• Formula: C92 H145 Mg N4 Na O8 Si
• Calculated formula: C91.952 H145 Mg N4 Na O7.988 Si
• SMILES: c1(c(C(C)C)cccc1C(C)C)N[Si](N(c1c(cccc1C(C)C)C(C)C)[Mg](Nc1c(cccc1C(C)C)C(C)C)(Nc1c(C(C)C)cccc1C(C)C)[O]1CCCC1)(c1ccccc1)c1ccccc1.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• 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: 11.0261 ± 0.0007 Å
• b: 18.0103 ± 0.0011 Å
• c: 44.259 ± 0.002 Å
• α: 90°
• β: 94.473 ± 0.006°
• γ: 90°
• Cell volume: 8762.3 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1906
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2312
• Weighted residual factors for all reflections included in the refinement: 0.3128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No