Information card for entry 1567404

Structure parameters

• Formula: C80 H116 Cl2 In2 N4 O8 S4
• Calculated formula: C80 H116 Cl2 In2 N4 O8 S4
• Title of publication: Mechanosynthesis and photophysics of colour-tunable photoluminescent group 13 metal complexes with sterically demanding salen and salophen ligands.
• Authors of publication: Leon, Felix; Li, Chenfei; Reynes, Javier F.; Singh, Varun K.; Lian, Xiao; Ong, How Chee; Hum, Gavin; Sun, Handong; García, Felipe
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 241
• Journal issue: 0
• Pages of publication: 63 - 78
• a: 14.6788 ± 0.0018 Å
• b: 16.4689 ± 0.0018 Å
• c: 19.909 ± 0.002 Å
• α: 90.361 ± 0.004°
• β: 105.337 ± 0.004°
• γ: 106.991 ± 0.004°
• Cell volume: 4420.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1755
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No