Information card for entry 7061082

Structure parameters

• Formula: C40 H40 O6 Sn
• Calculated formula: C40 H40 O6 Sn
• SMILES: [Sn]12(OC3=C(Oc4c(C3=[O]1)cccc4)c1ccc(C)cc1)(OC1=C(Oc3c(C1=[O]2)cccc3)c1ccc(cc1)C)(CCCC)CCCC
• Title of publication: Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system
• Authors of publication: Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 148 - 161
• a: 8.2415 ± 0.0002 Å
• b: 12.1785 ± 0.0004 Å
• c: 18.0555 ± 0.0008 Å
• α: 85.719 ± 0.003°
• β: 89.598 ± 0.003°
• γ: 75.364 ± 0.002°
• Cell volume: 1748.39 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2725
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No