Information card for entry 7057915

Structure parameters

• Chemical name: Cu(II) isonicotinate-N-oxide
• Formula: C24 H16 Cu3 N6 O18
• Calculated formula: C24 H16 Cu3 N6 O18
• Title of publication: Crystal habit modification of Cu(ii) isonicotinate‒N-oxide complexes using gel phase crystallisation
• Authors of publication: Ghosh, Dipankar; Ferfolja, Katja; Drabavičius, Žygimantas; Steed, Jonathan W.; Damodaran, Krishna K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 19963
• a: 8.892 ± 0.002 Å
• b: 15.096 ± 0.004 Å
• c: 11.178 ± 0.003 Å
• α: 90°
• β: 103.646 ± 0.009°
• γ: 90°
• Cell volume: 1458.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No