Information card for entry 7102531

Structure parameters

• Formula: C29 H15 N5
• Calculated formula: C29 H15 N5
• SMILES: [C+](c1ccccc1)(c1ccccc1)c1ccccc1.[C-]1(C(=C(C(=C1C#N)C#N)C#N)C#N)C#N
• 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: 12.802 ± 0.002 Å
• b: 8.1247 ± 0.0015 Å
• c: 22.816 ± 0.004 Å
• α: 90°
• β: 103.491 ± 0.005°
• γ: 90°
• Cell volume: 2307.8 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No