Information card for entry 7232723

Structure parameters

• Formula: C44 H36 Co2 N4 O10
• Calculated formula: C44.12 H36 Co2 N4 O10
• 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: 30.071 ± 0.003 Å
• b: 7.8976 ± 0.0006 Å
• c: 23.8471 ± 0.0017 Å
• α: 90°
• β: 101.951 ± 0.004°
• γ: 90°
• Cell volume: 5540.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1682
• Residual factor for significantly intense reflections: 0.1391
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.3033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No