Information card for entry 7243340

Structure parameters

• Formula: C21 H22.5 Cd2 N2 O12.75
• Calculated formula: C21 H22.5 Cd2 N2 O12.75
• Title of publication: An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives
• Authors of publication: Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 6171 - 6179
• a: 10.3439 ± 0.0005 Å
• b: 11.4569 ± 0.0006 Å
• c: 11.9709 ± 0.0006 Å
• α: 76.621 ± 0.002°
• β: 64.402 ± 0.002°
• γ: 85.987 ± 0.002°
• Cell volume: 1243.97 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.01 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: 0.0453
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No