Information card for entry 7245184

Structure parameters

• Formula: C57 H53 Co3 N7 O17
• Calculated formula: C57 H53 Co3 N7 O17
• Title of publication: An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies
• Authors of publication: Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.505 ± 0.002 Å
• b: 18.124 ± 0.004 Å
• c: 18.211 ± 0.004 Å
• α: 96.9 ± 0.01°
• β: 90.088 ± 0.009°
• γ: 97.374 ± 0.011°
• Cell volume: 3088.2 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2525
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No