Information card for entry 7113383

Structure parameters

• Formula: C30 H57 Mg N4 Na
• Calculated formula: C30 H57 Mg N4 Na
• SMILES: [c]12(ccccc2)[Mg]([N]2(C(CCCC2(C)C)(C)C)[Na]21[N](CC[N]2(C)C)(C)C)[N]1C(CCCC1(C)C)(C)C
• Title of publication: Isolation and characterisation of the mixed-metal alkyl amide [(TMEDA)Na(mu-Bu)(mu-TMP)Mg(TMP)], an unexpected chelate-trapped intermediate in the formation of inverse crowns.
• Authors of publication: Hevia, Eva; Gallagher, Daniel J.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Talmard, Christine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2422 - 2423
• a: 22.7801 ± 0.0004 Å
• b: 14.7272 ± 0.0003 Å
• c: 9.7007 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3254.46 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No