Information card for entry 4517630

Structure parameters

• Formula: C22 H17 Cu I N3 O2
• Calculated formula: C22 H17 Cu I N3 O2
• Title of publication: Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.
• Authors of publication: Khatua, Sajal; Biswas, Protap
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 24.184 ± 0.01 Å
• b: 12.642 ± 0.006 Å
• c: 17.903 ± 0.008 Å
• α: 90°
• β: 113.189 ± 0.004°
• γ: 90°
• Cell volume: 5031 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1894
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No