Information card for entry 7119742

Structure parameters

• Formula: C42 H63 N9 O9
• Calculated formula: C42 H63 N9 O9
• Title of publication: Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.
• Authors of publication: Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3705 - 3708
• a: 14.666 ± 0.002 Å
• b: 14.666 ± 0.002 Å
• c: 12.2227 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2276.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.2057
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2656
• Weighted residual factors for all reflections included in the refinement: 0.3536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No