Information card for entry 7244649

Structure parameters

• Formula: C60 H34 Cd3 N6 O9
• Calculated formula: C60 H34 Cd3 N6 O9
• Title of publication: Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors
• Authors of publication: Tay, Hui Min; Goddard, Emily; Hua, Carol
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 18.5387 ± 0.0001 Å
• b: 18.5387 ± 0.0001 Å
• c: 16.4112 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5640.26 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No