Information card for entry 7247777

Structure parameters

• Formula: C12.83 H29.33 Co N4 O4.83
• Calculated formula: C8 H10 Co N4
• Title of publication: High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
• Authors of publication: Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 47
• Pages of publication: 6533 - 6538
• a: 16.8677 ± 0.0005 Å
• b: 16.8677 ± 0.0005 Å
• c: 16.8677 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4799.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No