Information card for entry 4332955

Structure parameters

• Formula: C15 H27 In N2 S3
• Calculated formula: C15 H27 In N2 S3
• SMILES: [In]12(SCC[N]1(C)C)(SCC[N]2(C)C)Sc1ccc(cc1)C
• Title of publication: Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)
• Authors of publication: Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8423 - 8429
• a: 7.4499 ± 0.0003 Å
• b: 10.2419 ± 0.0005 Å
• c: 13.1509 ± 0.0006 Å
• α: 92.147 ± 0.003°
• β: 104.192 ± 0.003°
• γ: 95.171 ± 0.003°
• Cell volume: 967 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No