Information card for entry 4517636

Structure parameters

• Formula: C46 H36 Cl6 Cu2 I2 N6 O2
• Calculated formula: C46 H35 Cl6 Cu2 I2 N6 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: 12.166 ± 0.004 Å
• b: 13.376 ± 0.005 Å
• c: 18.035 ± 0.005 Å
• α: 68.76 ± 0.02°
• β: 74.17 ± 0.02°
• γ: 66.27 ± 0.02°
• Cell volume: 2476.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.203
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2767
• Weighted residual factors for all reflections included in the refinement: 0.3533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No