Information card for entry 7102532

Structure parameters

• Formula: C16 H15 N5 Si
• Calculated formula: C16 H15 N5 Si
• SMILES: C1(C(=C(C(=C1C#N)C#N)C#N)C#N)=C=N[Si](CC)(CC)CC
• 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: 23.68 ± 0.004 Å
• b: 14.653 ± 0.002 Å
• c: 20.072 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6964.6 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No