Information card for entry 4517632

Structure parameters

• Formula: C56 H45 Cu2 I2 N7 O2
• Calculated formula: C56 H45 Cu2 I2 N7 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: 23.576 ± 0.0019 Å
• b: 12.8738 ± 0.0011 Å
• c: 17.7114 ± 0.0014 Å
• α: 90°
• β: 110.88 ± 0.002°
• γ: 90°
• Cell volume: 5022.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No