Information card for entry 7034934

Structure parameters

• Formula: C102 H102 F6 N16 O18 Si
• Calculated formula: C102 H102 F6 N16 O18 Si
• SMILES: C(COc1ccc(cc1)NC(=O)c1ccc(cc1)C#N)[NH+](CCOc1ccc(NC(=O)c2ccc(cc2)C#N)cc1)CCOc1ccc(NC(=O)c2ccc(cc2)C#N)cc1.F[Si](F)(F)(F)([F-])[F-].N(C=O)(C)C.O.O.C(COc1ccc(cc1)NC(=O)c1ccc(cc1)C#N)[NH+](CCOc1ccc(NC(=O)c2ccc(cc2)C#N)cc1)CCOc1ccc(NC(=O)c2ccc(cc2)C#N)cc1.N(C)(C)C=O.O.O
• Title of publication: Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.
• Authors of publication: Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15220 - 15231
• a: 13.032 ± 0.0008 Å
• b: 13.7659 ± 0.0009 Å
• c: 15.566 ± 0.0011 Å
• α: 99.496 ± 0.005°
• β: 108.367 ± 0.005°
• γ: 101.296 ± 0.005°
• Cell volume: 2520.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1958
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No