Information card for entry 7221684

Structure parameters

• Formula: C44 H51 N5 O17
• Calculated formula: C44 H45 N5 O17
• Title of publication: Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units
• Authors of publication: Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8906
• a: 10.3014 ± 0.0006 Å
• b: 12.5123 ± 0.0008 Å
• c: 17.7504 ± 0.001 Å
• α: 94.575 ± 0.005°
• β: 97.802 ± 0.005°
• γ: 104.605 ± 0.005°
• Cell volume: 2177.9 ± 0.2 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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: 0.0994
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1182
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No