Information card for entry 7703081

Structure parameters

• Formula: C14 H6 Co2.36 Fe0.19 N6 Ni0.45 O6
• Calculated formula: C14 H6 Co2.3601 Fe0.1899 N6 Ni0.45 O6
• Title of publication: Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.
• Authors of publication: Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 750 - 756
• a: 17.7685 ± 0.0009 Å
• b: 12.7627 ± 0.0009 Å
• c: 11.209 ± 0.0005 Å
• α: 90°
• β: 95.114 ± 0.004°
• γ: 90°
• Cell volume: 2531.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No