Information card for entry 7050193

Structure parameters

• Formula: C14 H18 O4 S2
• Calculated formula: C14 H18 O4 S2
• SMILES: c1c(cccc1SC(C(=O)O)(C)C)SC(C)(C)C(=O)O
• Title of publication: Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/
• Authors of publication: Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 425
• a: 10.5028 ± 0.0015 Å
• b: 12.5327 ± 0.0014 Å
• c: 12.1758 ± 0.0015 Å
• α: 90°
• β: 92.081 ± 0.016°
• γ: 90°
• Cell volume: 1601.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No