Information card for entry 7006336

Structure parameters

• Formula: C66 H84 N6 Na6
• Calculated formula: C66 H84 N6 Na6
• SMILES: [Na]12[N]3(=C(c4ccccc4)C(C)(C)C)[Na]4[N]1(=C(c1ccccc1)C(C)(C)C)[Na]1[N]4(=C(c4ccccc4)C(C)(C)C)[Na]4[N]1(=C(c1ccccc1)C(C)(C)C)[Na]1[N]4(=C(c4ccccc4)C(C)(C)C)[Na]3[N]12=C(c1ccccc1)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: 11.8309 ± 0.0005 Å
• b: 12.2435 ± 0.0005 Å
• c: 12.884 ± 0.0006 Å
• α: 99.552 ± 0.002°
• β: 106.08 ± 0.002°
• γ: 108.896 ± 0.002°
• Cell volume: 1628.15 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No