Information card for entry 4347649

Structure parameters

• Common name: LIFM-40
• Formula: C36 H34 Ca N2 O6
• Calculated formula: C36 H34 Ca N2 O6
• Title of publication: Rigidifying Effect of Metal-Organic Frameworks: Protect the Conformation, Packing Mode, and Blue Fluorescence of a Soft Piezofluorochromic Compound under Pressures up to 8 MPa.
• Authors of publication: Wei, Zhang-Wen; Chen, Cheng-Xia; Zheng, Shao-Ping; Wang, Hai-Ping; Fan, Ya-Nan; Ai, Ye-Ye; Pan, Mei; Su, Cheng-Yong
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7311 - 7313
• a: 8.9836 ± 0.0002 Å
• b: 10.5918 ± 0.0004 Å
• c: 32.7196 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3113.35 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No