Information card for entry 7232410

Structure parameters

• Chemical name: Compound 3
• Formula: C24 H12 Cu N O5
• Calculated formula: C24 H12 Cu N O5
• Title of publication: A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry
• Authors of publication: Bommakanti, Suresh; Das, Samar K.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2438
• a: 16.174 ± 0.002 Å
• b: 16.174 ± 0.002 Å
• c: 16.357 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4279 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No