Information card for entry 7056018

Structure parameters

• Formula: C38 H48 Ag2 N8 O2
• Calculated formula: C38 H48 Ag2 N8 O2
• SMILES: O(c1ccc(C[n+]2ccn(C)c2)cc1)CCCCCCCCCCCCOc1ccc(C[n+]2ccn(C)c2)cc1.[Ag](C#N)C#N.[Ag](C#N)C#N
• Title of publication: Bolaamphiphilic liquid crystals based on bis-imidazolium cations
• Authors of publication: Al Abbas, Alexandre; Heinrich, Benoît; L'Her, Matthieu; Couzigné, Emilie; Welter, Richard; Douce, Laurent
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2604
• a: 6.42 ± 0.001 Å
• b: 6.924 ± 0.001 Å
• c: 22.131 ± 0.002 Å
• α: 95.13 ± 0.002°
• β: 92.58 ± 0.002°
• γ: 100.82 ± 0.003°
• Cell volume: 960.5 ± 0.2 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: 0.0507
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No