Information card for entry 7135378

Structure parameters

• Common name: alpha-CuOX1
• Chemical name: alpha-CuOX1
• Formula: C84.85 H91.85 Cl5.55 Cu N10 O4
• Calculated formula: C84.85 H91.85 Cl5.55 Cu 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: 19.665 ± 0.003 Å
• b: 13.997 ± 0.002 Å
• c: 32.546 ± 0.005 Å
• α: 90°
• β: 100.624 ± 0.004°
• γ: 90°
• Cell volume: 8805 ± 2 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: 0.1379
• Residual factor for significantly intense reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.3586
• Weighted residual factors for all reflections included in the refinement: 0.3806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.758
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No