Information card for entry 7038334

Structure parameters

• Formula: C8 H20 N4 Ni2 O12
• Calculated formula: C8 H20 N4 Ni2 O12
• SMILES: O1[Ni]2([OH2])([OH2])([OH2])[n]3ccc4C(=O)O[Ni]([n]5ccc(C1=O)n25)(n34)([OH2])([OH2])[OH2].O.O
• 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: 8.2122 ± 0.0004 Å
• b: 9.1298 ± 0.0004 Å
• c: 12.1575 ± 0.0005 Å
• α: 90°
• β: 107.134 ± 0.005°
• γ: 90°
• Cell volume: 871.06 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No