Information card for entry 1562236

Structure parameters

• Formula: C44 H29 In2 N O12
• Calculated formula: C44 H29 In2 N O12
• Title of publication: Mechanoluminescence and aggregation-enhanced emission (AEE) of an In-MOF based on a 9,9'-diphenyl-9<i>H</i>-fluorene tetraacid linker.
• Authors of publication: Jindal, Swati; Anjum, Gulshan; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 9668 - 9677
• a: 11.241 ± 0.0006 Å
• b: 13.279 ± 0.0007 Å
• c: 18.002 ± 0.001 Å
• α: 86.469 ± 0.002°
• β: 75.801 ± 0.002°
• γ: 81.052 ± 0.002°
• Cell volume: 2572.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No