Information card for entry 7135377

Structure parameters

• Common name: alpha-CoOX1
• Chemical name: alpha-CoOX1
• Formula: C84 H91 Cl3 Co N10 O4
• Calculated formula: C84 H91 Cl3 Co N10 O4
• Title of publication: Central-metal-cation-based modulation of gas adsorption selectivity in porous tetrapyrrolic materials.
• Authors of publication: Maji, Subrata; Gupta, Prachi; Clowes, Rob; Matsushita, Yoshitaka; Shrestha, Lok Kumar; Slater, Anna G.; Hill, Jonathan P.; Chahal, Mandeep K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• a: 19.623 ± 0.002 Å
• b: 14.1656 ± 0.0015 Å
• c: 32.426 ± 0.004 Å
• α: 90°
• β: 101.462 ± 0.002°
• γ: 90°
• Cell volume: 8833.7 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No