Information card for entry 7249237

Structure parameters

• Formula: C76 H62 Cd3 N8 O20
• Calculated formula: C46 H18 Cd3 O20
• Title of publication: A new Cd(ii)-based MOF displaying flu topology as a highly sensitive and selective photoluminescent sensor for ferric and chromate ions
• Authors of publication: Lan, Xue; Yang, Li; Wang, Jun; Lu, Lu; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav; Pan, Ying
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 38
• Pages of publication: 5371 - 5379
• a: 13.3139 ± 0.0006 Å
• b: 13.6689 ± 0.0006 Å
• c: 19.2341 ± 0.0009 Å
• α: 86.6362 ± 0.0008°
• β: 88.2811 ± 0.0008°
• γ: 76.7955 ± 0.0007°
• Cell volume: 3401.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0375
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No