Information card for entry 4346504

Structure parameters

• Formula: C42 H120 Br N9 Na6 Si10
• Calculated formula: C42 H120 Br N9 Na6 Si10
• SMILES: [Br]1234[Na]5[N]([Si](C)(C)C)([Si](C)(C)C)[Na]1[N]([Si](C)(C)C)([Na]2[N]([Na]3[N]([Na]4[N]5([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.C1[N]23[Na]([N](C1)(C)C)([N](CC2)(C)C)[N](CC3)(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: 13.7374 ± 0.0003 Å
• b: 20.605 ± 0.0003 Å
• c: 14.5508 ± 0.0003 Å
• α: 90°
• β: 110.422 ± 0.003°
• γ: 90°
• Cell volume: 3859.87 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No