Information card for entry 7119896

Structure parameters

• Formula: C12 H17 N5 O2 Zn
• Calculated formula: C12 H17 N5 O2 Zn
• 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: 17.764 ± 0.003 Å
• b: 17.764 ± 0.003 Å
• c: 10.4098 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2844.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No