Information card for entry 1547217

Structure parameters

• Formula: C16 H24 Cl2 N8 O8 Zn
• Calculated formula: C16 H24 Cl2 N8 O8 Zn
• SMILES: [Zn]([n]1cc[nH]c1C)([n]1cc[nH]c1C)([n]1cc[nH]c1C)[n]1cc[nH]c1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.
• Authors of publication: Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M
• Journal of publication: Analytical chemistry
• Year of publication: 2017
• Journal volume: 89
• Journal issue: 19
• Pages of publication: 10181 - 10187
• a: 15.6929 ± 0.0003 Å
• b: 16.0879 ± 0.0004 Å
• c: 11.3047 ± 0.0002 Å
• α: 90°
• β: 121.482 ± 0.003°
• γ: 90°
• Cell volume: 2433.95 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No