Information card for entry 4517625

Structure parameters

• Formula: C24 H19 Br1.25 Cu I N3 O
• Calculated formula: C24 H19 Br1.25 Cu I N3 O
• 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: 24.3244 ± 0.0009 Å
• b: 12.278 ± 0.0005 Å
• c: 17.7756 ± 0.0006 Å
• α: 90°
• β: 112.772 ± 0.002°
• γ: 90°
• Cell volume: 4895 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.1382
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2692
• Weighted residual factors for all reflections included in the refinement: 0.2998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No