Information card for entry 7101718

Structure parameters

• Formula: C39 H48 B Cl N6
• Calculated formula: C39 H48 B Cl N6
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].N1(CN2C3=[NH+]CCCN3CCC2)C2=[NH+]CCCN2CCC1
• Title of publication: Poly{guanidinium} salts: application in the preparation of a coordinatively saturated aluminium cation.
• Authors of publication: Aragón Sáez, Pedro J; Oakley, Sarah H; Coles, Martyn P; Hitchcock, Peter B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 816 - 818
• a: 13.8838 ± 0.0003 Å
• b: 16.026 ± 0.0003 Å
• c: 17.2417 ± 0.0004 Å
• α: 114.855 ± 0.001°
• β: 93.524 ± 0.001°
• γ: 91.947 ± 0.001°
• Cell volume: 3466.8 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No