Information card for entry 7006334

Structure parameters

• Formula: C36 H81 N6 Na3 Si3
• Calculated formula: C36 H81 N6 Na3 Si3
• SMILES: C(C)(C)([N]1([Si](C)(C)C)[Na]([N](C(C)(C)C)([Na]([N](C(C)(C)C)([Na]1[N]#CC(C)(C)C)[Si](C)(C)C)[N]#CC(C)(C)C)[Si](C)(C)C)[N]#CC(C)(C)C)C
• Title of publication: Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).
• Authors of publication: Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 919 - 927
• a: 11.1936 ± 0.0002 Å
• b: 11.7449 ± 0.0002 Å
• c: 39.5782 ± 0.0005 Å
• α: 90°
• β: 92.796 ± 0.001°
• γ: 90°
• Cell volume: 5197.06 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1112
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No