Information card for entry 7038335

Structure parameters

• Formula: C8 H10 Co N4 O6
• Calculated formula: C8 H10 Co N4 O6
• SMILES: c12cc[nH][n]2[Co]2([n]3c(cc[nH]3)C(=O)O2)(OC1=O)([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: 5.1082 ± 0.0003 Å
• b: 11.3902 ± 0.0007 Å
• c: 9.3932 ± 0.0007 Å
• α: 90°
• β: 96.02 ± 0.007°
• γ: 90°
• Cell volume: 543.51 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No