Information card for entry 7132634

Structure parameters

• Formula: C27 H21 In N6
• Calculated formula: C27 H21 In N6
• SMILES: [In]123([n]4c(c5n2ccc5)cccc4)([n]2c(c4n1ccc4)cccc2)n1c(ccc1)c1cccc[n]31
• Title of publication: Mononuclear indium(III) photosensitizers for photo-dehalogenation and olefin reduction.
• Authors of publication: Fu, Li-Zhi; He, Piao; Wang, Jia-Wei; Ma, Fan; Liu, Chao; Chen, Guo; Yi, Xiao-Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 12
• Pages of publication: 1595 - 1598
• a: 16.1797 ± 0.001 Å
• b: 15.4641 ± 0.001 Å
• c: 9.7077 ± 0.0006 Å
• α: 90°
• β: 99.032 ± 0.003°
• γ: 90°
• Cell volume: 2398.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.1193
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2627
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No