Information card for entry 4077108

Structure parameters

• Formula: C32 H70 K Mg N3 Si6
• Calculated formula: C32 H70 K Mg N3 Si6
• SMILES: [K+].c1c(cccc1)C.[Si](N([Si](C)(C)C)[Mg](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(C)(C)C.c1(ccccc1)C
• Title of publication: Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions
• Authors of publication: Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5115
• a: 9.6143 ± 0.0008 Å
• b: 15.7648 ± 0.0018 Å
• c: 16.116 ± 0.0019 Å
• α: 72.529 ± 0.01°
• β: 74.898 ± 0.007°
• γ: 77.439 ± 0.008°
• Cell volume: 2223.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No