Information card for entry 7232721

Structure parameters

• Formula: C44 H36 Co2 N4 O10
• Calculated formula: C44 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: 29.7813 ± 0.0012 Å
• b: 15.7987 ± 0.0007 Å
• c: 23.7492 ± 0.0009 Å
• α: 90°
• β: 101.808 ± 0.002°
• γ: 90°
• Cell volume: 10937.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1456
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No