Information card for entry 7102533

Structure parameters

• Formula: C19 H21 N5 Si
• Calculated formula: C19 H21 N5 Si
• SMILES: C1(C(=C(C(=C1C#N)C#N)C#N)C#N)=C=N[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Exploration of the pentacyano-cyclo-pentadienide ion, C(5)(CN)(5)(-), as a weakly coordinating anion and potential superacid conjugate base. Silylation and protonation.
• Authors of publication: Richardson, Christopher; Reed, Christopher A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 706 - 707
• a: 7.7909 ± 0.0015 Å
• b: 10.198 ± 0.002 Å
• c: 13.425 ± 0.003 Å
• α: 75.481 ± 0.003°
• β: 74.317 ± 0.003°
• γ: 84.171 ± 0.004°
• Cell volume: 993.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No