Information card for entry 7232722

Structure parameters

• Chemical name: [Cu(def)(bpy)]NO3
• Formula: C17 H16 Cu N4 O5
• Calculated formula: C17 H16 Cu N4 O5
• Title of publication: A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure
• Authors of publication: Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 3415
• a: 7.936 ± 0.004 Å
• b: 14.009 ± 0.007 Å
• c: 15.45 ± 0.008 Å
• α: 90°
• β: 92.041 ± 0.006°
• γ: 90°
• Cell volume: 1716.6 ± 1.5 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: 0.1552
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No