Information card for entry 1561330

Structure parameters

• Formula: C37 H20 O14 Pb2 S2
• Calculated formula: C37 H20 O14 Pb2 S2
• SMILES: C1(=O)c2ccc(cc2)S(=O)(=O)c2ccc(C(=O)O[Pb](OC(=O)c3ccc(cc3)S(=O)(=O)c3ccc(C(=O)O[Pb](O1)[OH2])cc3)[OH2])cc2.O=CN(C)C
• Title of publication: Water linked 3D coordination polymers: Syntheses, structures and applications
• Authors of publication: Singh, Suryabhan; Bhim, Anupam
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 244
• Pages of publication: 151 - 159
• a: 6.598 ± 0.0003 Å
• b: 11.2888 ± 0.0006 Å
• c: 12.4352 ± 0.0006 Å
• α: 66.96 ± 0.005°
• β: 78.305 ± 0.004°
• γ: 81.581 ± 0.004°
• Cell volume: 832.32 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No