Information card for entry 7241960

Structure parameters

• Formula: C28 H34 Cu N12 O12
• Calculated formula: C28 H34 Cu N12 O12
• Title of publication: From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry
• Authors of publication: Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1099 - 1109
• a: 12.1073 ± 0.0009 Å
• b: 6.2472 ± 0.0005 Å
• c: 21.321 ± 0.0015 Å
• α: 90°
• β: 94.374 ± 0.004°
• γ: 90°
• Cell volume: 1608 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1353
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No