Information card for entry 1571243

Structure parameters

• Formula: C38 H36 Cu N8 O8
• Calculated formula: C38 H36 Cu N8 O8
• SMILES: [Cu]([n]1c[nH]cc1CNc1cc(ccc1c1ncc(cc1)C(=O)OC)C(=O)OC)[n]1c[nH]cc1CNc1cc(ccc1c1ncc(cc1)C(=O)OC)C(=O)OC
• Title of publication: Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.
• Authors of publication: Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8141 - 8153
• a: 7.0232 ± 0.0012 Å
• b: 13.372 ± 0.002 Å
• c: 20.612 ± 0.003 Å
• α: 95.02 ± 0.007°
• β: 91.808 ± 0.009°
• γ: 100.397 ± 0.009°
• Cell volume: 1894.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No