Information card for entry 4517637

Structure parameters

• Formula: C23 H15.95 Cl4 Cu I N3 O
• Calculated formula: C23 H15.947 Cl4 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: 24.282 ± 0.003 Å
• b: 12.437 ± 0.0014 Å
• c: 17.961 ± 0.002 Å
• α: 90°
• β: 112.1 ± 0.004°
• γ: 90°
• Cell volume: 5025.6 ± 1 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 108.77 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: 0.1089
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No