Information card for entry 4346508

Structure parameters

• Formula: C30 H86 I N7 Na4 Si6
• Calculated formula: C30 H86 I N7 Na4 Si6
• SMILES: [Na]12[I]3([Na]([N]1([Si](C)(C)C)[Si](C)(C)C)[N]([Na]13[N](CC[N]1(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Na]1([N]2([Si](C)(C)C)[Si](C)(C)C)[N](C)(C)CC[N]1(C)C
• Title of publication: Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.
• Authors of publication: Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9833 - 9844
• a: 15.2873 ± 0.0006 Å
• b: 22.3153 ± 0.0006 Å
• c: 17.8166 ± 0.0009 Å
• α: 90°
• β: 113.919 ± 0.005°
• γ: 90°
• Cell volume: 5556 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No