Information card for entry 2201746

Structure parameters

• Common name: AETO4Pb3I10
• Chemical name: Tetrakis[(9-oxo-10-thiaxanthen-2-yloxyethyl)ammonium] decaiodidotriplumbate(II)
• Formula: C60 H56 I10 N4 O8 Pb3 S4
• Calculated formula: C60 H56 I10 N4 O8 Pb3 S4
• SMILES: [Pb](I)(I)(I)(I)([I][Pb](I)(I)I)[I][Pb]1(I)[I][Pb](I)([I]1)[I][Pb](I)(I)(I)(I)[I][Pb]I.S1c2ccc(OCC[NH3+])cc2C(=O)c2c1cccc2.S1c2c(cc(OCC[NH3+])cc2)C(=O)c2c1cccc2.S1c2ccc(OCC[NH3+])cc2C(=O)c2c1cccc2.S1c2c(cc(OCC[NH3+])cc2)C(=O)c2c1cccc2.S1c2ccc(OCC[NH3+])cc2C(=O)c2c1cccc2.S1c2c(cc(OCC[NH3+])cc2)C(=O)c2c1cccc2.S1c2ccc(OCC[NH3+])cc2C(=O)c2c1cccc2.S1c2c(cc(OCC[NH3+])cc2)C(=O)c2c1cccc2
• Title of publication: Tetrakis[(9-oxo-10-thiaxanthen-2-yloxyethyl)ammonium] decaiodotriplumbate(II)
• Authors of publication: Karen R. Maxcy; Roger D. Willett; David B. Mitzi; Ali Afzali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m364 - m366
• a: 9.793 ± 0.002 Å
• b: 11.704 ± 0.002 Å
• c: 18.061 ± 0.004 Å
• α: 71.72 ± 0.03°
• β: 89.45 ± 0.03°
• γ: 82.09 ± 0.03°
• Cell volume: 1945.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes