Information card for entry 4346505

Structure parameters

• Formula: C60 H172 I N13 Na8 Si14
• Calculated formula: C60 H172 I N13 Na8 Si14
• SMILES: [Na]12[N]([Na]3[N]([Na]4[N]([Na]5[N]([Na]([N]1([Si](C)(C)C)[Si](C)(C)C)[I]2345)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Na]12([N]([Na][N]([Na]34[N](C)(C)CC[N]3(C)CC[N]4(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[N](C)(C)CC[N]1(C)CC[N]2(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: 13.3266 ± 0.0004 Å
• b: 19.8058 ± 0.0005 Å
• c: 22.0443 ± 0.0005 Å
• α: 87.386 ± 0.002°
• β: 79.156 ± 0.002°
• γ: 74.411 ± 0.003°
• Cell volume: 5504.3 ± 0.3 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: 0.0751
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No