Information card for entry 7034928

Structure parameters

• Formula: C60 H58 N16 O13
• Calculated formula: C60 H56 N16 O13
• 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: 7.7878 ± 0.0005 Å
• b: 11.9857 ± 0.0008 Å
• c: 16.6759 ± 0.0012 Å
• α: 71.155 ± 0.004°
• β: 84.92 ± 0.004°
• γ: 88.018 ± 0.004°
• Cell volume: 1467.31 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No