Information card for entry 7022688

Structure parameters

• Formula: C42.5 H14 Cd3 N3 O15
• Calculated formula: C42.5 H14 Cd3 N3 O15
• Title of publication: A novel (3,3,6)-connected luminescent metal-organic framework for sensing of nitroaromatic explosives.
• Authors of publication: Sun, Libo; Xing, Hongzhu; Xu, Jin; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5508 - 5513
• a: 35.748 ± 0.0018 Å
• b: 18.52 ± 0.0009 Å
• c: 24.411 ± 0.0013 Å
• α: 90°
• β: 118.62 ± 0.001°
• γ: 90°
• Cell volume: 14186.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No