Information card for entry 4333527

Structure parameters

• Formula: C36 H36 Li4 N4 O10
• Calculated formula: C36 H27 Li4 N4 O10
• Title of publication: Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites
• Authors of publication: Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 589 - 595
• a: 28.467 ± 0.006 Å
• b: 28.594 ± 0.006 Å
• c: 12.96 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10549 ± 4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.74999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No