Information card for entry 7034927

Structure parameters

• Formula: C30 H28 I N7 O3
• Calculated formula: C30 H28 I N7 O3
• SMILES: O=C(NCC[NH+](CCNC(=O)c1ccc(cc1)C#N)CCNC(=O)c1ccc(cc1)C#N)c1ccc(cc1)C#N.[I-]
• 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: 7.7036 ± 0.0007 Å
• b: 12.0659 ± 0.0011 Å
• c: 16.4604 ± 0.0014 Å
• α: 72.706 ± 0.005°
• β: 84.786 ± 0.005°
• γ: 86.852 ± 0.005°
• Cell volume: 1454.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1314
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No