Information card for entry 7038337

Structure parameters

• Formula: C12 H16 Cu2 N4 O12
• Calculated formula: C12 H16 Cu2 N4 O12
• SMILES: C1(=O)c2ccn3CC(=O)O[Cu]4([n]5c(C(=O)O4)ccn5CC(=O)O[Cu]([n]23)(O1)([OH2])[OH2])([OH2])[OH2]
• Title of publication: Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.
• Authors of publication: Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5081 - 5091
• a: 13.0966 ± 0.0016 Å
• b: 8.4245 ± 0.001 Å
• c: 16.766 ± 0.003 Å
• α: 90°
• β: 108.24 ± 0.001°
• γ: 90°
• Cell volume: 1756.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No