Information card for entry 2101460

Structure parameters

• Formula: C16 H29 N2 Na O11 S3
• Calculated formula: C16 H29 N2 Na O11 S3
• SMILES: [Na+].C1(=C\C=C2\C(=O)N(CC(=O)[O-])C(=S)S2)/N(c2c(cccc2)S1)CC.O.O.O.O.O.O.O.O
• Title of publication: Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic‒inorganic structures
• Authors of publication: Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 277 - 286
• a: 46.209 ± 0.012 Å
• b: 7.005 ± 0.007 Å
• c: 16.583 ± 0.008 Å
• α: 90°
• β: 109.45 ± 0.04°
• γ: 90°
• Cell volume: 5061 ± 6 ų
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No