Information card for entry 7232409

Structure parameters

• Formula: C68 H48 Cu2 N4 O11
• Calculated formula: C68 H48 Cu2 N4 O11
• 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: 13.5686 ± 0.0004 Å
• b: 24.9419 ± 0.0007 Å
• c: 17.0814 ± 0.0006 Å
• α: 90°
• β: 91.796 ± 0.003°
• γ: 90°
• Cell volume: 5778 ± 0.3 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: 0.1343
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No